SCHEMBL880339

SCHEMBL880339

N=C(N)Nc1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.53
RAB9A P51151 12/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
PKM P14618 3/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SCD O00767 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CSNK1D P48730 1/20 0.49
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
HSP90AA1 P07900 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
SCHEMBL11410245 0.83 SCD (0.60) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL13522353 0.82 SCD (0.52) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL12162598 0.81 GAA (0.52) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL8985439 0.80 SCD (0.61) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL23932824 0.79 IL6 (0.50) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL23566353 0.79 SCD (0.63) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL23932941 0.78 HCRTR1 (0.42) HDAC6
SCHEMBL23932773 0.78 HCRTR1 (0.42) NPC1RAB9AMAPT
SCHEMBL22467975 0.78 FFAR2 (0.53) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL22468097 0.78 MAPT (0.47) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method LUBRIZOL ADVANCED MATERIALS, INC. 2016-10-13 US claimed
EP-3065831-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD Lubrizol Advanced Materials, Inc. (US) 2016-09-14 EP claimed
EP-2826461-B1 Method for straightening keratin fibres using a heating means and a denaturing agent ORÉAL L (FR) 2016-06-01 EP claimed
WO-2015069823-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-05-14 WO claimed
EP-2826461-A1 Method for straightening keratin fibres using a heating means and a denaturing agent L'Oréal (FR) 2015-01-21 EP claimed
US-20100284954-A1 PROCESS FOR RELAXING KERATIN FIBRES L'OREAL (FR) 2010-11-11 US claimed
EP-1351979-B1 REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-01-16 EP claimed
EP-1032387-B1 NOVEL METAL COMPLEXES SMITHKLINE BEECHAM CORP (US) 2007-03-07 EP claimed
US-20060127337-A1 Process for relaxing keratin fibres L'OREAL (FR) 2006-06-15 US claimed
EP-1661551-A2 Method of straightening keratin fibres with heating means and a denaturant agent L'OREAL (FR) 2006-05-31 EP claimed
WO-2023111081-A1 PROCESS FOR DYEING KERATIN FIBRES USING A COPOLYMER BASED ON ACETOACETATE FUNCTIONS, A CROSSLINKING AGENT, A COLOURING AGENT AND A METAL COMPOUND L'OREAL (FR) 2023-06-22 WO disclosed
WO-2023111079-A1 PROCESS FOR DYEING KERATIN FIBRES USING A (CO)POLYMER BASED ON ACETOACETATE FUNCTIONS, A CROSSLINKING AGENT, A COLOURING AGENT AND A METAL COMPOUND L'OREAL (FR) 2023-06-22 WO disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents L'OREAL (FR) 2022-08-02 US disclosed
US-4689335-A Heterocyclic guanidines for treating gastrointestinal motility dysfunction WILLIAM H. RORER, INC. (US) 1987-08-25 US disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed
US-4159898-A Alkyl-guanidino-heterocyclic compounds, their manufacture and use as additives for fuels and lubricants INSTITUT FRANCAIS DU PETROLE (FR) 1979-07-03 US disclosed
US-4113637-A DISPERSANTS, DETERGENTS INSTITUT FRANCAIS DU PETROLE (FR) 1978-09-12 US disclosed
US-4071459-A Alkyl-guanidino-heterocyclic compounds, their manufacture and use as additives for fuels and lubricants INSTITUT FRANCAIS DU PETROLE (FR) 1978-01-31 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 (5 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-11399611-B2 Process for straightening keratin fibres with a heating means and denaturing agents KRT18, KRTCAP2, TUBB4A NPC1 4391/4885RAB9A 4079/4885SMN1; SMN2 2504/4885
US-20100284954-A1 PROCESS FOR RELAXING KERATIN FIBRES KRT18, TPM4, MYLK NPC1 4849/4885RAB9A 2713/4885SMN1; SMN2 3501/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR NPC1 3021/4885RAB9A 2719/4885SMN1; SMN2 3570/4885
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method KRT18, PRKDC, DNMT1 NPC1 4812/4885RAB9A 4673/4885SMN1; SMN2 3381/4885
US-20060127337-A1 Process for relaxing keratin fibres KRT18, TPM4, MYLK NPC1 4849/4885RAB9A 2713/4885SMN1; SMN2 3501/4885

“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.