SCHEMBL1702585

SCHEMBL1702585

Cc1cccc(C)c1NC(=O)CSc1nnnn1-c1ccc(F)cc1F

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.62
▸ KMT2A Q03164 7/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 4/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ATM Q13315 1/20 0.51
▸ USP2 O75604 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL6280252 0.78 MEN1 (0.67) NPSR1KMT2AMEN1LMNAALDH1A1
SCHEMBL24210094 0.76 NPSR1 (1.00) NPSR1KMT2AMEN1TDP1ALDH1A1
SCHEMBL6346019 0.76 KMT2A (0.76) NPSR1KMT2AMEN1LMNAALDH1A1
SCHEMBL6277413 0.76 CYP1A2 (0.67) NPSR1KMT2AMEN1LMNAALDH1A1
SCHEMBL6277599 0.75 ALDH1A1 (0.65) NPSR1KMT2AMEN1TDP1LMNA
SCHEMBL24210097 0.74 NPSR1 (0.59) NPSR1KMT2AMEN1LMNAALDH1A1
SCHEMBL6281550 0.74 KMT2A (0.86) NPSR1KMT2AMEN1LMNAALDH1A1
SCHEMBL6279510 0.73 KMT2A (0.73) NPSR1KMT2AMEN1LMNAALDH1A1
SCHEMBL6280499 0.73 ALDH1A1 (0.76) NPSR1KMT2AMEN1TDP1LMNA
SCHEMBL1611034 0.73 KMT2A (0.56) NPSR1KMT2AMEN1TDP1LMNA

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 3 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
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 NPSR1 3623/4885KMT2A 895/4885MEN1 4841/4885

“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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