SCHEMBL6352993

SCHEMBL6352993

O=C(O)Cc1ccc2cc(OCCBr)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 4/20 0.44
▸ CYSLTR2 Q9NS75 2/20 0.44
▸ NCF1 P14598 4/20 0.43
▸ PDE3B Q13370 6/20 0.42
▸ PDE3A Q14432 6/20 0.42
▸ PDE2A O00408 5/20 0.42
▸ P2RY12 Q9H244 4/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ APP P05067 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL6834524 0.76 CYSLTR1 (0.41) CYSLTR1CYSLTR2NCF1PTPN7KDM4E
SCHEMBL1641523 0.75 HDAC1 (0.52) MAPTKDM4EALDH1A1
SCHEMBL8146789 0.73 NPC1 (0.66) NCF1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27559613 0.72 KDM4E (0.40) CYSLTR1CYSLTR2KDM4EALDH1A1GPBAR1
SCHEMBL4720632 0.72 HDAC1 (0.51) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9232392 0.71 PTGS1 (0.41) CYSLTR1MAPTKDM4EALDH1A1GPBAR1
Anthracene SCHEMBL10418177 0.70 CYP1A2 (0.59) CYSLTR1CYSLTR2KDM4EALDH1A1GPBAR1
SCHEMBL5108700 0.70 PLA2G4B (0.55) SMN1; SMN2KDM4EALDH1A1
SCHEMBL4476421 0.69 NPC1 (0.53) NCF1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5470951 0.69 BACE1 (0.51) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-04-28 — — US disclosed
EP-1396490-A1 3-QUINOLINE-2-(1H)-YLIDENEINDOLIN-2-ONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 — — 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-20050090498-A1 3-Quinolin-2(1h)-ylideneindolin-2-one derivative KDR, FLT4, FLT1 CYSLTR1 3870/4885CYSLTR2 3142/4885NCF1 1175/4885

“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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