SCHEMBL3985405

SCHEMBL3985405

CSc1nn(Cc2ccc(F)cc2)c(=O)c2c(OCc3ccccc3)c3n(c12)CCN(C)C3=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 3/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
GRM5 P41594 2/20 0.35
TP53 P04637 1/20 0.35
GRM3 Q14832 1/20 0.35
ADORA1 P30542 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
SCHEMBL3981450 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MAPTPOLBRECQLL3MBTL1
SCHEMBL3985459 0.88 SMN1; SMN2 (0.40) SMN1; SMN2POLBRECQLL3MBTL1LMNA
SCHEMBL3982263 0.88 SMN1; SMN2 (0.40) SMN1; SMN2MAPTPOLBRECQLL3MBTL1
SCHEMBL3987185 0.88 SMN1; SMN2 (0.40) SMN1; SMN2POLBRECQLL3MBTL1LMNA
SCHEMBL3989708 0.88 SMN1; SMN2 (0.40) SMN1; SMN2POLBRECQLL3MBTL1LMNA
SCHEMBL3983923 0.86 SMN1; SMN2 (0.38) SMN1; SMN2POLBRECQLL3MBTL1LMNA
SCHEMBL3982232 0.84 ALDH1A1 (0.38) SMN1; SMN2POLBRECQLL3MBTL1LMNA
SCHEMBL3985775 0.84 ADORA1 (0.37) SMN1; SMN2POLBRECQLL3MBTL1LMNA
SCHEMBL3991465 0.83 ALDH1A1 (0.37) SMN1; SMN2MAPTPOLBRECQLL3MBTL1
SCHEMBL3981562 0.82 MAPT (0.37) MAPTPOLBTP53PKMNPSR1

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
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP SMN1; SMN2 4264/4885MAPT 3743/4885POLB 80/4885

“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.