SCHEMBL4676404

SCHEMBL4676404

Cc1ccc(Cc2c[nH]cc2CC(=O)C(=O)c2nc[nH]n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
P2RY14 Q15391 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
SRD5A2 P31213 1/20 0.31
AR P10275 1/20 0.31
SNCA P37840 1/20 0.31
GAA P10253 1/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL4672961 0.88 KMT2A (0.41) ARALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4672663 0.88 KDM5A (0.37) MAPTSNCAALDH1A1NPC1RAB9A
SCHEMBL4676110 0.88 HTR6 (0.35) ALDH1A1TDP1
SCHEMBL4672523 0.88 MAPT (0.34) MAPTRETKDRSNCALMNA
SCHEMBL4680088 0.88 SLC6A2 (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4672088 0.86 LMNA (0.33) MAPTSNCAALDH1A1LMNASMN1; SMN2
SCHEMBL4673142 0.86 NPC1 (0.32) MAPTRETKDRSRD5A2AR
SCHEMBL4675332 0.86 RET (0.31) MAPTRETKDRSRD5A2AR
SCHEMBL4678650 0.82 GAA (0.32) P2RY14GAATDP1KMT2AIGF1R
SCHEMBL4674656 0.82 SRD5A2 (0.32) MAPTP2RY14RETKDRSRD5A2

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
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
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 205/4885P2RY14 3108/4885RET 2399/4885

“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.