SCHEMBL4277137

SCHEMBL4277137

CN1C[C@H](c2ccccc2)n2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 5/20 0.35
HPGD P15428 4/20 0.35
TP53 P04637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 4/20 0.34
TSHR P16473 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
APLNR P35414 3/20 0.34
RECQL P46063 1/20 0.33
GRM5 P41594 1/20 0.33
GRM3 Q14832 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL13572504 1.00 MAPT (0.39) MAPTSMN1; SMN2RAB9AHPGDTP53
SCHEMBL13573333 0.90 MAPT (0.38) MAPTSMN1; SMN2RAB9AHPGDTP53
SCHEMBL4277845 0.85 MAPT (0.42) MAPTSMN1; SMN2RAB9AHPGDTP53
SCHEMBL4552948 0.85 MAPT (0.42) MAPTSMN1; SMN2RAB9AHPGDTP53
SCHEMBL13572503 0.82 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1POLBRECQLGRM5
SCHEMBL4275512 0.82 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1POLBRECQLGRM5
SCHEMBL13572505 0.78 ALOX12 (0.38) MAPTSMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL2545473 0.75 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9AHPGDTP53
SCHEMBL4197420 0.75 SMN1; SMN2 (0.46) MAPTSMN1; SMN2TP53L3MBTL1POLB
SCHEMBL13572502 0.74 LMNA (0.38) MAPTSMN1; SMN2RAB9AL3MBTL1POLB

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 3 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
EP-1942736-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP 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 MAPT 2808/4885SMN1; SMN2 4680/4885RAB9A 2531/4885

“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.