SCHEMBL3603918

SCHEMBL3603918

Cc1cc(OCCN(C)C)ccc1NC(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.49
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL3941729 0.84 CA1 (0.48) SLC2A1ALDH1A1KCNH2MEN1KMT2A
SCHEMBL3607548 0.79 CA12 (0.44) SLC2A1ALDH1A1POLBTRPM4LMNA
SCHEMBL3603208 0.77 CA1 (0.54) ALDH1A1L3MBTL1
SCHEMBL13119783 0.75 KCNH2 (0.41) KCNH2SMN1; SMN2CYP3A4MAPTHTR2A
SCHEMBL13119784 0.75 MCL1 (0.48) TDP1KCNH2CYP3A4
SCHEMBL2639113 0.75 SLC2A1 (0.44) SLC2A1KDM4EALDH1A1TDP1KCNH2
SCHEMBL3615910 0.74 CETP (0.43) KDM4EALDH1A1KCNH2POLBSMN1; SMN2
SCHEMBL14306929 0.73 SLC2A1 (0.43) SLC2A1KDM4EALDH1A1KCNH2CYP1A2
SCHEMBL2639837 0.73 SLC2A1 (0.40) SLC2A1SMN1; SMN2
SCHEMBL3610354 0.72 NPC1 (0.54) KDM4EALDH1A1KCNH2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SLC2A1 3704/4885KDM4E 760/4885ALDH1A1 2363/4885

“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.