SCHEMBL5658061

SCHEMBL5658061

Cc1cccnc1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
LTA4H P09960 1/20 0.49
KMT2A Q03164 6/20 0.47
PDE10A Q9Y233 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AGTR1 P30556 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17263069 0.84 KMT2A (0.52) RAB9ANPC1KMT2APDE10AMEN1
SCHEMBL2240328 0.82 L3MBTL1 (0.47) RAB9ANPC1KMT2APDE10AALDH1A1
SCHEMBL6643686 0.81 LTA4H (0.50) RAB9ANPC1LTA4HKMT2ARXFP1
SCHEMBL7456639 0.79 LTA4H (0.52) RAB9ANPC1LTA4HKMT2APDE10A
SCHEMBL6770919 0.79 HSD17B14 (0.42) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL7842762 0.79 KDM4E (0.61) RAB9ALTA4HKMT2AALDH1A1KDM4E
SCHEMBL6122220 0.77 KEAP1 (0.49) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL10480570 0.77 CYP1A2 (0.51) RAB9ANPC1KMT2APDE10AMEN1
SCHEMBL5655399 0.76 HCRTR1 (0.43) RAB9ANPC1LTA4HKMT2APDE10A
SCHEMBL2212405 0.75 KDM4E (0.61) RAB9ALTA4HKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 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 (2 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT RAB9A 2379/4885NPC1 3657/4885LTA4H 2331/4885
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 RAB9A 2546/4885NPC1 2059/4885LTA4H 2399/4885

“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.