SCHEMBL4474830

SCHEMBL4474830

O=C(Cc1ccnc(Br)c1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
PTPN1 P18031 1/20 0.46
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR3C2 P08235 1/20 0.39
CTNNB1 P35222 1/20 0.38
KDM1A O60341 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR7 P34969 1/20 0.38
PLOD2 O00469 1/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
LTA4H P09960 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5787643 0.85 CES2 (0.42) RAB9ACTNNB1KDM1AHDAC1HDAC6
SCHEMBL6643878 0.85 LMNA (0.43) RAB9APTPN1NPC1HSD17B10NR3C2
SCHEMBL828092 0.84 RAB9A (0.53) RAB9APTPN1NPC1ALDH1A1HPGD
SCHEMBL14143222 0.84 MAPT (0.44) RAB9APTPN1NPC1ALDH1A1HPGD
SCHEMBL5790783 0.83 PIK3CA (0.45) RAB9ANPC1ALDH1A1KDM1AHDAC1
SCHEMBL3890809 0.82 RAB9A (0.50) RAB9APTPN1NPC1ALDH1A1HPGD
SCHEMBL2980415 0.82 RAB9A (0.50) RAB9APTPN1NPC1ALDH1A1HPGD
SCHEMBL14143255 0.82 RAB9A (0.50) RAB9APTPN1NPC1ALDH1A1HPGD
SCHEMBL3618613 0.79 LOXL2 (0.45) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL2645324 0.77 LTA4H (0.58) RAB9APTPN1NPC1ALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-07-21 US disclosed
WO-2020219591-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 WO disclosed
WO-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 WO disclosed
EP-0686156-B1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP disclosed
US-5670503-A PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR MEDIATED DISEASES SUCH AS INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG RAB9A 1682/4885PTPN1 449/4885NPC1 1214/4885
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS REN, FURIN, QTRT1 RAB9A 259/4885PTPN1 3471/4885NPC1 175/4885

“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.