SCHEMBL1692133

SCHEMBL1692133

CCc1cccc(C(=O)N(C)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KAT6A Q92794 2/20 0.45
▸ MAPK14 Q16539 1/20 0.43
▸ BCL2 P10415 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.41

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
SCHEMBL14072399 0.88 KAT6A (0.47) KMT2AMEN1KAT6AL3MBTL1ADORA3
SCHEMBL24721325 0.84 KMT2A (0.45) KMT2AMEN1L3MBTL1ADORA3ADORA2A
SCHEMBL1690680 0.83 KMT2A (0.44) KMT2AMEN1L3MBTL1ADORA3ADORA2A
SCHEMBL322040 0.83 KMT2A (0.53) KMT2AMEN1KAT6AMAPK14BCL2
SCHEMBL16301365 0.81 KMT2A (0.53) KMT2AMEN1KAT6AMAPK14BCL2
SCHEMBL14117419 0.80 KMT2A (0.58) KMT2AMEN1KAT6AMAPK14BCL2
SCHEMBL15601891 0.80 KMT2A (0.48) KMT2AMEN1KAT6AMAPK14BCL2
SCHEMBL27308943 0.80 ALDH1A1 (0.52) KMT2AMEN1LMNASMN1; SMN2HPGD
SCHEMBL13853837 0.79 PPARG (0.46) KMT2AMEN1SLC7A5PPARG
SCHEMBL8828473 0.78 HPGD (0.67) KMT2AMEN1L3MBTL1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 — — US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 — — US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 — — US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 — — 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 (4 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885KAT6A 2581/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885KAT6A 2581/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885KAT6A 2581/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 KMT2A 2123/4885MEN1 1384/4885KAT6A 2581/4885

“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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