SCHEMBL4100287

SCHEMBL4100287

Cc1ccc(CNC(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44

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 SCHEMBL19520755 0.98 IDO1 (0.53) IDO1SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL3672272 0.89 CYP2C9 (0.48) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL17198946 0.85 LMNA (0.46) IDO1SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL11981491 0.83 IDO1 (0.52) IDO1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL13879953 0.83 CYP2C9 (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL16181585 0.83 NOS1 (0.52) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL30496708 0.82 IDO1 (0.46) IDO1SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL14853358 0.82 ALDH1A1 (0.58) SMN1; SMN2NPC1ALDH1A1HPGDLMNA
SCHEMBL14083 0.82 CHRM2 (0.44) IDO1SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL6881703 0.81 CYP2C9 (0.42) MAPTKMT2AMEN1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand BIO-RAD LABORATORIES, INC. (US) 2023-06-06 US disclosed
US-20210086165-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2021-03-25 US disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
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 disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
EP-0088180-A1 N-phosphonomethylglycine derivatives Geshuri Laboratories Ltd. (IL) 1983-09-14 EP disclosed
US-4397676-A HERBICIDES GESHURI LABORATORIES LTD. (IL) 1983-08-09 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT IDO1 1215/4885SMN1; SMN2 3979/4885NPC1 985/4885
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand MSR1, RXRA, MLX IDO1 4765/4885SMN1; SMN2 4015/4885NPC1 1303/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA IDO1 18/4885SMN1; SMN2 3027/4885NPC1 4841/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 IDO1 348/4885SMN1; SMN2 3724/4885NPC1 4782/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 IDO1 118/4885SMN1; SMN2 3508/4885NPC1 4747/4885
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 IDO1 20/4885SMN1; SMN2 3800/4885NPC1 4179/4885

“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.