SCHEMBL6668385

SCHEMBL6668385

CCCCCc1ncccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNH2 Q12809 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GCGR P47871 1/20 0.39
PPARA Q07869 1/20 0.37
HTR2A P28223 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHFR P00374 1/20 0.36
TLR8 Q9NR97 1/20 0.35
CXCR4 P61073 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL22166126 0.98 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL5452167 0.98 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL21076459 0.98 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL19304381 0.98 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL19865639 0.94 L3MBTL1 (0.42) TDP1L3MBTL1KDM1AMAOAMAOB
SCHEMBL10116180 0.86 KDM1A (0.43) L3MBTL1KDM1AMAOAMAOBKDM4E
SCHEMBL11218925 0.83 HRH1 (0.50) KDM1AMAOAMAOBCXCR4
SCHEMBL2096356 0.81 KDM1A (0.40) L3MBTL1KDM1AMAOAMAOBCYP2D6
SCHEMBL20099796 0.81 CXCR4 (0.44) L3MBTL1KDM1AMAOAMAOBCXCR4
SCHEMBL26931374 0.81 CYP2A6 (0.48) L3MBTL1KDM1AMAOAMAOBCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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 (3 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 TDP1 997/4885L3MBTL1 4207/4885KCNH2 4088/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 TDP1 997/4885L3MBTL1 4207/4885KCNH2 4088/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 TDP1 997/4885L3MBTL1 4207/4885KCNH2 4088/4885

“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.