SCHEMBL17393727

SCHEMBL17393727

COc1ccc(-c2nc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.61
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ S1PR1 P21453 2/20 0.50
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPBWR1 P48145 4/20 0.46
▸ EGFR P00533 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ PTPN7 P35236 1/20 0.45
▸ BLM P54132 1/20 0.45

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
SCHEMBL17393743 0.94 NR1H4 (0.55) NR1H4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17393420 0.93 RAB9A (0.53) NR1H4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17393713 0.90 LMNA (0.55) NPC1RAB9AS1PR1LMNATHRB
SCHEMBL17393439 0.88 NPC1 (0.58) NR1H4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5679609 0.88 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL17393412 0.88 NPSR1 (0.64) NR1H4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17393432 0.87 NPBWR1 (0.49) NPC1RAB9ASMN1; SMN2S1PR1LMNA
SCHEMBL17393442 0.87 DGAT1 (0.59) NR1H4NPC1RAB9AS1PR1LMNA
SCHEMBL17393275 0.87 NPBWR1 (0.49) NR1H4NPC1RAB9AS1PR1LMNA
SCHEMBL17393620 0.87 KDM4E (0.61) NR1H4NPC1SMN1; SMN2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522907-B2 Anticancer agent and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-20 — — US claimed
EP-2966073-B1 DERIVATIVES OF 1-(BENZIMIDAZOL-2-YL)-4-(5-PHENYL-1,2,4-OXADIAZOL-3-YL)-BENZENE USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-12-14 — — EP claimed
EP-2966073-A1 DERIVATIVES OF 1-(BENZIMIDAZOL-2-YL)-4-(5-PHENYL-1,2,4-OXADIAZOL-3-YL)-BENZENE USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2016-01-13 — — EP claimed
US-20160002214-A1 ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-07 — — US claimed
US-9522907-B2 Anticancer agent and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-20 — — US disclosed
EP-2966073-B1 DERIVATIVES OF 1-(BENZIMIDAZOL-2-YL)-4-(5-PHENYL-1,2,4-OXADIAZOL-3-YL)-BENZENE USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-12-14 — — EP disclosed
EP-2966073-B1 DERIVATIVES OF 1-(BENZIMIDAZOL-2-YL)-4-(5-PHENYL-1,2,4-OXADIAZOL-3-YL)-BENZENE USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2016-12-14 — — EP disclosed
EP-2966073-A1 DERIVATIVES OF 1-(BENZIMIDAZOL-2-YL)-4-(5-PHENYL-1,2,4-OXADIAZOL-3-YL)-BENZENE USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2016-01-13 — — EP 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-20160002214-A1 ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF ABCC3, CASP3, ABCC4 NR1H4 1157/4885NPC1 625/4885RAB9A 887/4885

“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.

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