SCHEMBL4270785

SCHEMBL4270785

COc1c(-c2nnc(Cc3ccc(F)cc3)o2)cn2c1C(=O)N(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APLNR P35414 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
PLAT P00750 3/20 0.37
EGFR P00533 1/20 0.36
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 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
SCHEMBL4280987 0.86 NPC1 (0.41) POLBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4275542 0.80 POLB (0.36) POLBHPGDL3MBTL1THRBRECQL
SCHEMBL753818 0.74 HPGD (0.47) POLBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL754735 0.69 SMN1; SMN2 (0.43) POLBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4272854 0.69 POLB (0.36) POLBSMN1; SMN2APLNRRECQLTMEM97
SCHEMBL13255439 0.69 HPGD (0.44) POLBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13255465 0.69 HPGD (0.50) POLBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4279016 0.68 POLB (0.38) POLBHPGDSMN1; SMN2THRBRECQL
SCHEMBL13255481 0.68 SMN1; SMN2 (0.47) POLBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL12020187 0.68 HPGD (0.47) POLBHPGDSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
WO-2007050510-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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-20090312335-A1 Hiv Integrase Inhibitors RECQL, TYMP, POLR2H POLB 19/4885HPGD 460/4885SMN1; SMN2 4680/4885

“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.