SCHEMBL3615910

SCHEMBL3615910

N#Cc1cc(Cl)cc(Oc2cc(OCC(=O)Nc3ccncc3C(F)(F)F)ccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KDR P35968 1/20 0.39
KCNH2 Q12809 2/20 0.39
POLB P06746 2/20 0.39
NOTUM Q6P988 3/20 0.39
ALDH1A1 P00352 1/20 0.38
PORCN Q9H237 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPM4 Q8TD43 1/20 0.38

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
SCHEMBL2881385 0.76 KCNH2 (0.39) KMT2AKDM4EKDRKCNH2ALDH1A1
SCHEMBL3607548 0.76 CA12 (0.44) KMT2AGAAPOLBALDH1A1LMNA
SCHEMBL3603208 0.76 CA1 (0.54) ALDH1A1RAB9A
SCHEMBL13119783 0.75 KCNH2 (0.41) KCNH2SMN1; SMN2
SCHEMBL13119784 0.75 MCL1 (0.48) KCNH2HPGD
SCHEMBL4517719 0.75 KCNH2 (0.53) CETPKMT2AKDM4EKCNH2LMNA
SCHEMBL3941729 0.74 CA1 (0.48) KMT2AKCNH2ALDH1A1
SCHEMBL3603918 0.74 SLC2A1 (0.49) KMT2AGAAKDM4EKCNH2POLB
SCHEMBL13119785 0.72 KCNH2 (0.40) KCNH2POLBHPGD
SCHEMBL14610121 0.71 SMN1; SMN2 (0.45) KMT2AKCNH2HPGDLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP claimed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO claimed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US claimed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 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-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E CETP 1515/4885KMT2A 553/4885GAA 279/4885

“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.