SCHEMBL5778824

SCHEMBL5778824

O=C(O)c1nc(-c2ccccc2)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HPGD P15428 2/20 0.48
HPGDS O60760 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LDHA P00338 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27846466 0.81 MEN1 (0.49) MEN1KMT2AHPGDHPGDSSMN1; SMN2
SCHEMBL29774207 0.81 MEN1 (0.60) MEN1KMT2AHPGDHPGDSSMN1; SMN2
SCHEMBL14801053 0.80 NPC1 (0.43) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13983030 0.79 ATM (0.54) MEN1KMT2AHPGDHPGDSSMN1; SMN2
SCHEMBL319097 0.79 MEN1 (0.48) MEN1KMT2AHPGDHPGDSSMN1; SMN2
SCHEMBL318918 0.78 TTR (0.42) SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL1164032 0.77 NPC1 (0.52) MEN1KMT2AHPGDHPGDSSMN1; SMN2
SCHEMBL1163841 0.76 RAB9A (0.50) KMT2AHPGDSSMN1; SMN2NPC1NFKB1
SCHEMBL27752144 0.76 MEN1 (0.44) MEN1KMT2AHPGDHPGDSSMN1; SMN2
SCHEMBL3371440 0.75 KDM4E (0.40) HPGDALDH1A1LMNATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1280289-C Alkoxy carbonylamino heteroaryl carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-10-18 CN disclosed
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 EP disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
CN-1494544-A Alkoxy carbonylamino heteroaryl carboxylic acid derivatives as IP antagonists - 2004-05-05 CN disclosed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 EP disclosed
US-6569860-B2 Alkoxycarbonylamino-heteroaryl carboxylic acid derivatives useful for treating the disorders of the urinary tract, pain, inflammation, respiratory states, edema formation, hypotensive vascular diseases, pain and allergies ROćHE PALO ALTO LLC 2003-05-27 US disclosed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 US disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 WO disclosed
US-6221871-B1 TREATING SCHIZOPHRENIA, DEPRESSION OR PARKINSON'S DISEASE NEUROGEN CORPORATION 2001-04-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
US-5912350-A Certain aminomethyl biphenyl, aminomethyl phenyl pyridine and aminomethyl phenyl pyrimidine derivatives; novel dopamine receptor subtype selective ligands NEUROGEN CORPORATION (US) 1999-06-15 US disclosed
CN-1214685-A Farnesyl protein transfer inhibitors BRISTOL MYERS SQUIBB CO (US) 1999-04-21 CN disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
US-5677454-A DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSONISM NEUROGEN CORPORATION (US) 1997-10-14 US disclosed
EP-0793662-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1997-09-10 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed
US-5594141-A ANTIPSYCHOTIC AND ANTIDEPRESSANT AGENTS; PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1997-01-14 US disclosed
WO-1996016058-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO 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-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists GPBAR1, GCGR, CNR1 MEN1 2920/4885KMT2A 4378/4885HPGD 1260/4885

“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.