SCHEMBL4886377

SCHEMBL4886377

O=C(NC1CCCC1)c1cn[nH]c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
ROCK2 O75116 3/20 0.49
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ACKR3 P25106 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL1609860 0.93 CD38 (0.47) SMN1; SMN2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL20387472 0.87 SMYD3 (0.54)
SCHEMBL11898543 0.85 HPGDS (0.48) ROCK2
SCHEMBL23022275 0.80 HPGDS (0.51) KMT2AROCK2
SCHEMBL6247409 0.79 ALDH1A1 (0.64) SMN1; SMN2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL19132829 0.78 RORC (0.41) ROCK2
SCHEMBL26934068 0.76 ROCK2 (0.61) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL9949309 0.76 MMP2 (0.43) ROCK2
SCHEMBL19132740 0.75 ROCK2 (0.40) SMN1; SMN2NPC1RAB9AHPGDROCK2
SCHEMBL2695068 0.75 KMT2A (0.66) SMN1; SMN2L3MBTL1NPC1RAB9AKMT2A

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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 SMN1; SMN2 599/4885L3MBTL1 4714/4885NPC1 3322/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 SMN1; SMN2 599/4885L3MBTL1 4714/4885NPC1 3322/4885

“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.