SCHEMBL3613404

SCHEMBL3613404

O=C(Cc1ccc(Cl)nc1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
ECE2 P0DPD6 1/20 0.55
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ATM Q13315 1/20 0.52
PANK3 Q9H999 2/20 0.52
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KCNH2 Q12809 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL16211006 0.97 KMT2A (0.52) L3MBTL1ECE2NPC1HPGDSMN1; SMN2
SCHEMBL14084729 0.81 GABRP (0.58) ECE2NPC1HPGDSMN1; SMN2KMT2A
SCHEMBL5080004 0.80 PANK3 (0.49) SMN1; SMN2KMT2AMEN1ATMPANK3
SCHEMBL7430480 0.78 HPGD (0.67) NPC1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL12436381 0.78 ECE2 (0.51) ECE2NPC1HPGDSMN1; SMN2KMT2A
SCHEMBL9528958 0.77 HPGD (0.70) NPC1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL8163504 0.76 PANK3 (0.48) L3MBTL1HPGDSMN1; SMN2KMT2AMEN1
SCHEMBL22217034 0.75 SMN1; SMN2 (0.67) ECE2NPC1HPGDSMN1; SMN2KMT2A
SCHEMBL30154481 0.74 GABRP (0.61) L3MBTL1NPC1KMT2AMEN1ATM
SCHEMBL256024 0.74 GABRP (0.61) L3MBTL1NPC1KMT2AMEN1ATM

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-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL L3MBTL1 1097/4885ECE2 2220/4885NPC1 730/4885

“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.