SCHEMBL4674899

SCHEMBL4674899

Cc1cccc(C(O)=CC(=O)c2ccc(Cc3ccc(F)cc3)o2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
GBA1 P04062 1/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 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
SCHEMBL4672565 0.89 KDM4E (0.40) MAPTMAOAMAOBLMNAKDM4E
SCHEMBL4672764 0.86 CYP1A2 (0.48) MAPTLMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3220602 0.82 MEN1 (0.40) MAPTLMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL4673599 0.81 LMNA (0.37) MAPTMAOAMAOBLMNAKMT2A
SCHEMBL3228400 0.81 TP53 (0.44) MAPTMAOAMAOBLMNAKMT2A
SCHEMBL4677826 0.80 LMNA (0.39) MAPTMAOAMAOBLMNAKMT2A
SCHEMBL3216621 0.79 CYP1A2 (0.41) MAPTMAOAMAOBLMNAKMT2A
SCHEMBL3220613 0.79 HCAR2 (0.40) MAPTMAOAMAOBLMNAKMT2A
SCHEMBL4673718 0.78 NFE2L2 (0.46) MAPTLMNAKMT2AKDM4ESMN1; SMN2
SCHEMBL3220743 0.78 TRPM8 (0.39) MAPTLMNAKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 MAPT 205/4885MAOA 238/4885MAOB 158/4885

“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.