SCHEMBL501316

SCHEMBL501316

S=C1CN=C(c2ccccc2)c2ccccc2N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.69
ALDH1A1 P00352 1/20 0.69
PKM P14618 1/20 0.69
HTT P42858 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
GABRA1 P14867 1/20 0.67
GABRG2 P18507 1/20 0.67
GABRB3 P28472 1/20 0.67
GABRA5 P31644 1/20 0.67
GABRA3 P34903 1/20 0.67
GABRA2 P47869 1/20 0.67
GABRB2 P47870 1/20 0.67
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDE4D Q08499 2/20 0.47
CNR1 P21554 1/20 0.47
NTSR1 P30989 1/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL11191379 0.88 CHRM1 (0.71) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL29627864 0.82 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7323866 0.82 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL10741591 0.82 CHRM1 (0.71) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7323716 0.82 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7322165 0.82 CHRM1 (0.80) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7331808 0.82 CHRM1 (0.71) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL2843067 0.82 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL11384670 0.81 ALOX12 (0.77) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL11733821 0.81 CHRM1 (0.55) CHRM1ALDH1A1PKMHTTNPSR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250178-B1 IMPROVED PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES CENTAUR CHEMICALS PVT LTD (IN) 2012-06-20 EP disclosed
US-8106189-B2 Process for preparation of triazol-benzodiazepine derivatives CENTAUR CHEMICALS PVT LTD (IN) 2012-01-31 US disclosed
EP-2250178-A2 IMPROVED PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES Centaur Chemicals Pvt. Ltd. (IN) 2010-11-17 EP disclosed
WO-2009069147-A2 IMPROVED PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES CENTAUR CHEMICALS PVT. LTD. (IN) 2009-06-04 WO disclosed
US-20090093629-A1 PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES CENTAUR CHEMICALS PVT LTD (IN) 2009-04-09 US disclosed
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed
US-4978753-A 7-phenylpyrimido[1,2-alpha][1,4]benzodiazepin-3(5H)-ones THE UPJOHN COMPANY (US) 1990-12-18 US disclosed
US-4902794-A Triazolo-benzodiazepines THE UPJOHN COMPANY (US) 1990-02-20 US disclosed
US-4902794-A Triazolo-benzodiazepines THE UPJOHN COMPANY (US) 1990-02-20 US disclosed
US-4427590-A Triazolobenzodiazepine derivatives CIBA-GEIGY CORPORATION (US) 1984-01-24 US disclosed
US-4250094-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS, AND ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4141902-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1979-02-27 US disclosed
US-4017492-A As-triazinobenzodiazepin-1-ones THE UPJOHN COMPANY (US) 1977-04-12 US disclosed
US-4012413-A 1-(2-AMINOALKYL)-6-PHENYL-TRIAZOLO-BENZODIAZEPINE COMPOUNDS USED AS TRANQUILIZERS AND ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1977-03-15 US disclosed
US-3992408-A CHEMICAL INTERMEDIATES THE UPJOHN COMPANY (US) 1976-11-16 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3946032-A Acetal derivatives of 6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxaldehyde CIBA-GEIGY CORPORATION (US) 1976-03-23 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 (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-20090093629-A1 PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES GABBR1, GABBR2, CYP2C19 CHRM1 1016/4885ALDH1A1 2973/4885PKM 114/4885

“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.