SCHEMBL1696341

SCHEMBL1696341

CCCc1cccc(C(=O)NCCc2cccc(Cl)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
GAA P10253 1/20 0.65
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
TRPV1 Q8NER1 1/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.57
THRB P10828 1/20 0.57
HPGD P15428 1/20 0.56
KCNH2 Q12809 1/20 0.55
NAMPT P43490 1/20 0.55
SNCA P37840 1/20 0.55

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
SCHEMBL15676737 0.92 L3MBTL1 (0.66) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1696480 0.91 NPC1 (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1690988 0.88 L3MBTL1 (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1696410 0.87 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL18774048 0.86 NPC1 (0.75) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8218590 0.86 NPC1 (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14233690 0.86 L3MBTL1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1196389 0.84 L3MBTL1 (0.70) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16815086 0.84 L3MBTL1 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1696581 0.83 HIF1A (0.59) NPC1RAB9ASMN1; SMN2LMNAMAPT

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 L3MBTL1 2920/4885NPC1 3968/4885RAB9A 818/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 L3MBTL1 2920/4885NPC1 3968/4885RAB9A 818/4885

“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.