SCHEMBL1563031

SCHEMBL1563031

Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.70
▸ HTT P42858 1/20 0.64
▸ MAPT P10636 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TSHR P16473 1/20 0.59
▸ CCR5 P51681 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ PTGES O14684 1/20 0.56
▸ RECQL P46063 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ GAA P10253 1/20 0.55

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
SCHEMBL12459461 0.94 KMT2A (0.63) KMT2AHTTMAPTL3MBTL1TSHR
SCHEMBL4212339 0.81 TP53 (0.67) KMT2AMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1563603 0.81 L3MBTL1 (0.53) KMT2AHTTMAPTL3MBTL1CCR5
SCHEMBL4206740 0.79 PKM (0.67) KMT2AHTTMAPTL3MBTL1TSHR
SCHEMBL4198177 0.77 TSHR (0.68) KMT2AHTTMAPTL3MBTL1TSHR
SCHEMBL12459467 0.77 LMNA (0.69) KMT2AHTTMAPTTSHRALDH1A1
SCHEMBL1563274 0.75 KMT2A (0.53) KMT2AHTTCCR5ALDH1A1RECQL
SCHEMBL12459463 0.74 CYP3A4 (0.67) KMT2AHTTL3MBTL1ALDH1A1PTGES
SCHEMBL1563417 0.73 KMT2A (0.54) KMT2AHTTMAPTL3MBTL1TSHR
SCHEMBL13905646 0.73 TSHR (0.67) KMT2AMAPTL3MBTL1TSHRALDH1A1

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
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 — — EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 — — EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 — — EP disclosed
EP-1545483-A4 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2009-03-25 — — EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 — — US disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 — — EP disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 — — 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 (2 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT KMT2A 911/4885HTT 2326/4885MAPT 702/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT KMT2A 911/4885HTT 2326/4885MAPT 702/4885

“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.

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