SCHEMBL4229520

SCHEMBL4229520

Cc1cccc2c(C(=O)C(F)(F)F)c[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 1/20 0.67
▸ NR4A2 P43354 2/20 0.61
▸ PIM3 Q86V86 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CNR2 P34972 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ AR P10275 2/20 0.41

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
SCHEMBL13715439 0.86 BRPF1 (0.69) BRPF1NR4A2PIM3CNR2ALDH1A1
SCHEMBL2036952 0.84 BRPF1 (0.67) BRPF1NR4A2PIM3CNR2ALDH1A1
SCHEMBL2037236 0.83 PIM3 (0.59) BRPF1PIM3MAPK1TPSAB1RAB9A
SCHEMBL3978031 0.82 BRPF1 (0.77) BRPF1NR4A2CNR2ALDH1A1HTT
SCHEMBL7838694 0.81 PIM3 (0.58) BRPF1NR4A2PIM3MAPK1ALDH1A1
SCHEMBL2036354 0.81 NR4A2 (0.60) BRPF1NR4A2PIM3MAPK1ALDH1A1
SCHEMBL13715558 0.81 BRPF1 (0.61) BRPF1NR4A2CNR2ALDH1A1HTT
SCHEMBL3563888 0.81 ALDH1A1 (0.60) BRPF1NR4A2PIM3MAPK1CNR2
SCHEMBL27599870 0.78 BRPF1 (0.71) BRPF1NR4A2CNR2ALDH1A1HTT
SCHEMBL25139503 0.76 BRPF1 (0.69) BRPF1NR4A2CNR2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603120-A Preparation method and application of indole-3-fluoroketone compound 平顶山学院 2024-02-27 — — CN disclosed
EP-2108649-B1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists KOREA RES INST CHEM TECH (KR) 2013-04-24 — — EP disclosed
US-8324246-B2 Indol carboxylic acid bispyridyl carboxamide derivatives, pharmaceutically acceptable salt thereof, preparation method and composition containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-04 — — US disclosed
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 — — US disclosed
WO-2009125923-A2 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 — — WO disclosed
EP-2108649-A1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists Korea Research Institute of Chemical Technology (KR) 2009-10-14 — — 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-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT HTR2C, HTR5A, HTR2A BRPF1 3481/4885NR4A2 1506/4885PIM3 4527/4885

“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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