SCHEMBL3985780

SCHEMBL3985780

CCOC(=O)c1c(OCc2ccccc2)c2n(c1C(=O)CBr)CCN(C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
EGFR P00533 2/20 0.36
PKM P14618 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
PLCG1 P19174 1/20 0.36
PAX8 Q06710 1/20 0.36
PPIA P62937 2/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL3985363 0.92 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3988044 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3987589 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3984999 0.83 MAPT (0.34) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3982506 0.75 KDM4E (0.41) MAPTKMT2AKDM4EALDH1A1EGFR
SCHEMBL3985585 0.75 LMNA (0.44) SMN1; SMN2MAPTKMT2AKDM4ELMNA
SCHEMBL3984538 0.74 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3985176 0.72 SMN1; SMN2 (0.39) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL3982597 0.72 LMNA (0.44) SMN1; SMN2MAPTKMT2AKDM4ELMNA
SCHEMBL4395071 0.70 KDM4E (0.41) NPC1RAB9AKMT2AKDM4EALDH1A1

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 5 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
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP SMN1; SMN2 4264/4885MAPT 3743/4885NPC1 3818/4885

“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.