SCHEMBL245877

SCHEMBL245877

N=C(N)NC(=N)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
EPHX1 P07099 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MMP8 P22894 1/20 0.36
MMP1 P03956 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11818439 0.98 SIGMAR1 (0.42) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL4094504 0.98 SIGMAR1 (0.41) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL30226293 0.96 SIGMAR1 (0.39) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL8798634 0.89 SMN1; SMN2 (0.32) SIGMAR1SMN1; SMN2EPHX2MMP2MMP8
SCHEMBL3070836 0.86 EPHX1 (0.50) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL11733291 0.83 EPHX1 (0.50) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL23736061 0.81 EPHX1 (0.50) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL19359635 0.81 EPHX1 (0.50) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL19359634 0.81 EPHX1 (0.50) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL14447399 0.81 EPHX1 (0.50) SIGMAR1EPHX1SMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 832 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US claimed
WO-2012036392-A3 HUMAN ANTI-EPIDERMAL GROWTH FACTOR RECEPTOR FAB ANTIBODY AND A PHARMACEUTICAL COMPOSITION FOR TREATING TUMOURS COMPRISING THE SAME 주식회사 아이지세라피 (KR) 2012-05-10 WO claimed
EP-1930376-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2011-12-07 EP claimed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US claimed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US claimed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP claimed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP claimed
CN-1377230-A Fast acting disinfectant and cleaner JOHNSON S C COMM MARKETS INC (US) 2002-10-30 CN claimed
US-4959267-A COATING WITH CURED GUANIDE COMPOUND, CURED RESORCINOL-FORMALDEHYDE RESIN DU PONT CANADA INC. (CA) 1990-09-25 US claimed
EP-0297748-A2 Process for protecting articles from attack by bleaching solutions Du Pont Canada Inc. (CA) 1989-01-04 EP claimed
CN-113347793-B Method for manufacturing printed wiring board 味之素株式会社 2026-05-19 CN disclosed
EP-4734673-A1 WIRING BOARD Resonac Corporation (JP) 2026-04-29 EP disclosed
US-20260109849-A1 EPOXY RESIN COMPOSITION, RESIN PASTE, FILM-TYPE ADHESIVE, PRINTED WIRING BOARD, SEMICONDUCTOR CHIP PACKAGE, AND ELECTRONIC DEVICE ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-04-23 US disclosed
EP-3971920-B1 RESIN COMPOSITION AJINOMOTO KK (JP) 2026-04-01 EP disclosed
CN-1377230-A Fast acting disinfectant and cleaner JOHNSON S C COMM MARKETS INC (US) 2002-10-30 CN disclosed
US-4959267-A COATING WITH CURED GUANIDE COMPOUND, CURED RESORCINOL-FORMALDEHYDE RESIN DU PONT CANADA INC. (CA) 1990-09-25 US disclosed
EP-0297748-A2 Process for protecting articles from attack by bleaching solutions Du Pont Canada Inc. (CA) 1989-01-04 EP disclosed
US-3932167-A Substituted s-triazines as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA SIGMAR1 1743/4885EPHX1 3319/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 SIGMAR1 3735/4885EPHX1 2311/4885SMN1; SMN2 3724/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 SIGMAR1 4748/4885EPHX1 3502/4885SMN1; SMN2 4821/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 SIGMAR1 2720/4885EPHX1 2359/4885SMN1; SMN2 3508/4885
US-20260109849-A1 EPOXY RESIN COMPOSITION, RESIN PASTE, FILM-TYPE ADHESIVE, PRINTED WIRING BOARD, SEMICONDUCTOR CHIP PACKAGE, AND ELECTRONIC DEVICE ASH2L, DOT1L, ASH1L SIGMAR1 1327/4885EPHX1 163/4885SMN1; SMN2 3963/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT SIGMAR1 1048/4885EPHX1 3675/4885SMN1; SMN2 3800/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.