SCHEMBL891475

SCHEMBL891475

N=C(N)NC(=N)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
GRM4 Q14833 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
FADS1 O60427 1/20 0.38
P2RY1 P47900 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
ACP1 P24666 1/20 0.36
DHODH Q02127 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 SCHEMBL16702230 0.98 IDO1 (0.44) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL11834973 0.88 MAPT (0.36) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL13584365 0.87 IDO1 (0.47) IDO1MAPTKMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL13583810 0.85 IDO1 (0.45) IDO1MAPTKMT2AMEN1NPSR1
SCHEMBL4101495 0.85 FADS1 (0.46) IDO1MAPTGRM4KMT2AMEN1
SCHEMBL11879620 0.83 IDO1 (0.52) IDO1MAPTALDH1A1LMNAGAA
SCHEMBL1229884 0.82 HTR3E (0.54) IDO1MAPTALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL8490681 0.81 MAPT (0.43) IDO1MAPTALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL1320574 0.80 HTR3E (0.53) IDO1MAPTALDH1A1LMNAGAA
4-Chlorophenylbiguanide SCHEMBL305068 0.80 NPC1 (0.53) MAPTALDH1A1LMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117062940-A Composition and method for treating substrate 富士胶片株式会社 2023-11-14 CN disclosed
CN-115746855-A Treatment liquid 富士胶片株式会社 2023-03-07 CN disclosed
CN-114364780-A Treatment liquid, kit, method for producing treatment liquid, method for cleaning substrate, and method for treating substrate 富士胶片株式会社 2022-04-15 CN disclosed
WO-2021049208-A1 TREATMENT LIQUID, KIT, TREATMENT LIQUID PRODUCTION METHOD, SUBSTRATE CLEANING METHOD, AND SUBSTRATE TREATMENT METHOD 富士フイルム株式会社 2021-03-18 WO disclosed
CN-108485840-B Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2020-12-29 CN disclosed
CN-105873691-B Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2018-04-20 CN disclosed
US-9751833-B2 Antimicrobial biguanide metal complexes SMITH & NEPHEW PLC (GB) 2017-09-05 US disclosed
EP-1902059-B1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES SMITH & NEPHEW (GB) 2016-12-21 EP disclosed
CN-101253182-B Antimicrobial biguanide metal complexes SMITH & NEPHEW 2015-05-06 CN disclosed
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2013-01-31 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-20090123513-A1 Antimicrobial Biguanide Metal Complexes SMITH & NEPHEW PLC (GB) 2009-05-14 US disclosed
US-20090118164-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2009-05-07 US disclosed
EP-1902059-A1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES Smith & Nephew, PLC (GB) 2008-03-26 EP disclosed
WO-2007000590-A1 ANTIMICROBIAL BIGUANIDE METAL COMPLEXES SMITH & NEPHEW PLC (GB) 2007-01-04 WO 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

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

For each of this compound's patents that has machine-readable text (7 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-20090123513-A1 Antimicrobial Biguanide Metal Complexes GLMN, SOD1, MB IDO1 2026/4885MAPT 4032/4885ALDH1A1 2475/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA IDO1 18/4885MAPT 2845/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 IDO1 348/4885MAPT 2382/4885ALDH1A1 1279/4885
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 IDO1 4526/4885MAPT 4451/4885ALDH1A1 3961/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 IDO1 118/4885MAPT 2407/4885ALDH1A1 1073/4885
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 20/4885MAPT 3332/4885ALDH1A1 1610/4885
US-20090118164-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 IDO1 4526/4885MAPT 4451/4885ALDH1A1 3961/4885

“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.