SCHEMBL1696543

SCHEMBL1696543

CCCc1cccc(C(=O)N(C)I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KAT6A Q92794 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP4F2 P78329 3/20 0.43
▸ CYP4A11 Q02928 3/20 0.43
▸ PPARG P37231 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ MAP1LC3A Q9H492 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL10268480 0.87 KMT2A (0.55) KMT2AMEN1KAT6AHPGDTDP1
SCHEMBL10268514 0.87 KMT2A (0.50) KMT2AMEN1KAT6AHPGDTDP1
SCHEMBL14039473 0.83 KMT2A (0.46) KMT2AMEN1HPGDTDP1PPARG
SCHEMBL14039446 0.82 KMT2A (0.43) KMT2AMEN1HPGDTDP1PPARG
SCHEMBL3697259 0.81 CYP4F2 (0.48) KMT2AMEN1KAT6AHPGDTDP1
SCHEMBL14072399 0.81 KAT6A (0.47) KMT2AMEN1KAT6AHPGDTDP1
SCHEMBL1696458 0.80 KMT2A (0.77) KMT2AMEN1HPGDPPARGL3MBTL1
SCHEMBL1696343 0.80 L3MBTL1 (0.55) KMT2AMEN1KAT6AHPGDPPARG
SCHEMBL13951769 0.80 HSD17B2 (0.56) KMT2AHPGDTDP1L3MBTL1NPC1
SCHEMBL11752450 0.79 KAT6A (0.52) KAT6ATDP1CYP4F2CYP4A11L3MBTL1

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
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 (2 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-20120088758-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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