SCHEMBL3619936

SCHEMBL3619936

COC1CCCN(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Br)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CTNNB1 P35222 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL2924397 0.84 ALDH1A1 (0.41) MAPTALDH1A1GAAKDM4ECYP1A2
SCHEMBL3606479 0.84 MAPK1 (0.43) MAPTALDH1A1GAAKDM4ECYP1A2
SCHEMBL3609170 0.83 MAPK1 (0.45) MAPTALDH1A1GAAKDM4ECYP1A2
SCHEMBL3614435 0.83 RXFP1 (0.40) USP2MAPTALDH1A1GAAKDM4E
SCHEMBL3616978 0.81 CASP3 (0.43) USP2MAPTALDH1A1GAAKDM4E
SCHEMBL3609347 0.81 SIRT1 (0.40) USP2MAPTALDH1A1GAAKDM4E
SCHEMBL2930135 0.80 RXFP1 (0.42) USP2MAPTALDH1A1GAAKDM4E
SCHEMBL6767523 0.79 MAP2 (0.41) MAPTALDH1A1KDM4ETSHRHTT
SCHEMBL2923000 0.79 HTT (0.36) USP2MAPTALDH1A1GAAKDM4E
SCHEMBL2924649 0.79 RXFP1 (0.46) MAPTALDH1A1GAAKDM4ECYP1A2

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
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT USP2 3970/4885MAPT 716/4885ALDH1A1 882/4885

“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.