SCHEMBL11996353

SCHEMBL11996353

CCc1nnc(SCC(=O)Nc2cccc(C)c2C)n1-c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HTT P42858 3/20 0.60
▸ PTGES O14684 1/20 0.58
▸ GAA P10253 2/20 0.57
▸ LMNA P02545 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ USP2 O75604 1/20 0.52

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
SCHEMBL12459463 0.78 CYP3A4 (0.67) ALDH1A1HTTPTGESGAALMNA
SCHEMBL12459464 0.76 ALDH1A1 (0.56) MAPTALDH1A1GAALMNAMEN1
SCHEMBL12459696 0.76 CYP3A4 (0.63) ALDH1A1HTTPTGESLMNAKMT2A
SCHEMBL16486486 0.75 TP53 (0.72) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL12459467 0.74 LMNA (0.69) MAPTALDH1A1HTTLMNAGLA
SCHEMBL5439030 0.71 L3MBTL1 (0.69) ALDH1A1HTTPTGESGAALMNA
SCHEMBL15264254 0.71 KMT2A (0.79) MAPTALDH1A1GAALMNAMEN1
SCHEMBL13905646 0.70 TSHR (0.67) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL2403971 0.69 SMN1; SMN2 (0.55) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL12459461 0.69 KMT2A (0.63) MAPTALDH1A1HTTLMNAKMT2A

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 4 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
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT MAPT 702/4885ALDH1A1 271/4885HTT 2326/4885

“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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