SCHEMBL6714575

SCHEMBL6714575

COc1nccc(C)c1NC(=O)c1cccnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.46
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL29693646 0.87 NPC1 (0.55) NPC1ALDH1A1HTTEGFRSMN1; SMN2
SCHEMBL29948971 0.87 NPC1 (0.55) NPC1ALDH1A1HTTEGFRSMN1; SMN2
SCHEMBL1923392 0.87 NPC1 (0.55) NPC1ALDH1A1HTTEGFRSMN1; SMN2
SCHEMBL29948741 0.87 NPC1 (0.55) NPC1ALDH1A1HTTEGFRSMN1; SMN2
SCHEMBL445410 0.79 KMT2A (0.44) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL30435397 0.79 KMT2A (0.44) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL14459586 0.79 NPC1 (0.47) NPC1ALDH1A1HTTEGFRSMN1; SMN2
SCHEMBL8299614 0.75 ALDH1A1 (0.46) NPC1ALDH1A1HTTEGFRSMN1; SMN2
SCHEMBL1345232 0.75 GAA (0.42) ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL6714580 0.74 KMT2A (0.40) ALDH1A1KMT2AMEN1L3MBTL1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925076-A Nevirapine intermediate compound and preparation method and application thereof 山东新时代药业有限公司 2023-10-24 CN disclosed
CN-116813538-A Nevirapine intermediate compound and preparation method thereof 山东新时代药业有限公司 2023-09-29 CN disclosed
CN-116410129-A Nevirapine intermediate compound 山东新时代药业有限公司 2023-07-11 CN disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
WO-1999064048-A9 INHIBITORS OF HIV REVERSE TRANSCRIPTASE ADVANCED MEDICINE INC (US) 2000-07-20 WO disclosed
EP-1003541-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE Advanced Medicine, Inc. (US) 2000-05-31 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064048-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5532358-A Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4] diazepin-6-ones BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-07-02 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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 NPC1 3927/4885ALDH1A1 1021/4885HTT 4327/4885

“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.