SCHEMBL6218258

SCHEMBL6218258

COC(=O)c1cc(C)c2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G2A P14555 2/20 0.38
GRM2 Q14416 3/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HSP90AA1 P07900 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL13255404 0.90 MAPT (0.42) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3870490 0.90 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3868397 0.89 MAPT (0.45) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL13850730 0.89 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3868863 0.89 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3867056 0.89 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3867709 0.89 MAPT (0.43) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL13850748 0.88 GRM2 (0.42) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3873995 0.88 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2NPSR1
SCHEMBL3870135 0.88 MAPT (0.42) MAPTALDH1A1HPGDSMN1; SMN2NPSR1

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
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAPT 4308/4885ALDH1A1 381/4885HPGD 3035/4885

“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.