SCHEMBL26789

SCHEMBL26789

c1ccc(CN2CCNC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.78
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
CXCR4 P61073 4/20 0.53
TDP1 Q9NUW8 2/20 0.52
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MC4R P32245 1/20 0.50
CYP2D6 P10635 1/20 0.49
DRD4 P21917 1/20 0.48

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 SCHEMBL27713050 0.98 SIGMAR1 (0.75) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL24271305 0.96 SIGMAR1 (0.79) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL28208414 0.89 CXCR4 (0.61) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL152631 0.88 SIGMAR1 (1.00) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL6138636 0.88 SIGMAR1 (1.00) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
Benzene SCHEMBL27761330 0.88 SIGMAR1 (1.00) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL83548 0.88 SIGMAR1 (1.00) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL276363 0.88 SIGMAR1 (1.00) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
SCHEMBL1618521 0.87 SIGMAR1 (0.59) SIGMAR1KMT2AALDH1A1MEN1CYP2C9
Hydrochloric Acid SCHEMBL2223234 0.86 SIGMAR1 (0.96) SIGMAR1KMT2AALDH1A1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776849-B2 Benzenoid ansamycin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-17 US claimed
EP-1064268-B1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2005-11-30 EP claimed
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP claimed
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP claimed
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP claimed
US-6605124-B1 Naphthol hair dyes for keratinous fibers L'OREAL S.A. (FR) 2003-08-12 US claimed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US claimed
US-6544298-B1 Dyeing human hair using coupler L'OREAL (FR) 2003-04-08 US claimed
EP-1064268-A1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO claimed
WO-1999048875-A1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO claimed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP claimed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD SIGMAR1 2189/4885KMT2A 2753/4885ALDH1A1 2691/4885

“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.