SCHEMBL17393603

SCHEMBL17393603

Brc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.61
▸ MMP2 P08253 2/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ MMP8 P22894 2/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ NPC1 O15118 8/20 0.54
▸ RAB9A P51151 8/20 0.54
▸ GAA P10253 1/20 0.54
▸ KDM4E B2RXH2 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ HPGD P15428 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ PKN1 Q16512 1/20 0.50
▸ PKN2 Q16513 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL17393416 0.92 NPC1 (0.66) NR1H4MMP2MMP9MMP8MMP13
SCHEMBL17393380 0.88 NR1H4 (0.54) NR1H4NPC1RAB9AGAAKDM4E
SCHEMBL17393264 0.88 NPC1 (0.71) NR1H4MMP2MMP9MMP8NPC1
SCHEMBL17402181 0.88 NPC1 (0.62) NR1H4NPC1RAB9AGAAKDM4E
SCHEMBL17393265 0.86 NR1H4 (0.54) NR1H4MMP2MMP9MMP8MMP13
SCHEMBL17393311 0.86 NR1H4 (0.61) NR1H4MMP2MMP9MMP8MMP13
SCHEMBL481735 0.85 NPC1 (0.72) MMP2MMP9MMP8MMP13NPC1
SCHEMBL17393718 0.85 NPC1 (0.73) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL17393433 0.85 LMNA (0.55) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL13942807 0.84 NPC1 (0.70) MMP2MMP9MMP8MMP13NPC1

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 10 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
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
US-20160002214-A1 ANTICANCER AGENT AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-07 — — US 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 1157/4885MMP2 3228/4885MMP9 3057/4885

“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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