SCHEMBL1702875

SCHEMBL1702875

Cc1cc(C)c(NC(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.69
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 9/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 1/20 0.54
NTRK1 P04629 1/20 0.52
NTRK2 Q16620 1/20 0.52
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL24209777 0.83 NPSR1 (0.83) TDP1NPSR1HPGDSMN1; SMN2LMNA
SCHEMBL6282045 0.83 MEN1 (0.59) TDP1NPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL6279656 0.82 L3MBTL1 (0.67) TDP1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL29473331 0.81 ALDH1A1 (0.75) TDP1NPSR1HPGDSMN1; SMN2LMNA
SCHEMBL6277599 0.81 ALDH1A1 (0.65) TDP1NPSR1HPGDSMN1; SMN2LMNA
SCHEMBL6279001 0.80 MAPT (0.64) NPSR1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6277778 0.80 SMN1; SMN2 (0.76) TDP1NPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL14605919 0.80 MEN1 (0.56) TDP1NPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL6279592 0.79 ALDH1A1 (0.69) TDP1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL6280412 0.79 ALDH1A1 (0.56) HPGDSMN1; SMN2LMNAALDH1A1HTT

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-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
WO-2005115147-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2005-12-08 WO disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 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-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 TDP1 584/4885NPSR1 3623/4885HPGD 425/4885

“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.