SCHEMBL4885892

SCHEMBL4885892

O=C(NCCc1ccccc1)c1cn[nH]c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.62
ROCK1 Q13464 1/20 0.62
RAB9A P51151 10/20 0.61
NPC1 O15118 9/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MAPT P10636 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
SCHEMBL4879445 0.84 ROCK2 (0.60) ROCK2ROCK1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL751214 0.80 HDAC2 (0.80) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL28193721 0.79 HDAC2 (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2375702 0.78 ROCK2 (0.75) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL9011235 0.78 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7705627 0.78 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13373398 0.77 MMP13 (0.45) ROCK2ROCK1
SCHEMBL31023451 0.77 EPHX2 (0.62) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL1568235 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2129716 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 ROCK2 4342/4885ROCK1 4527/4885RAB9A 3176/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ROCK2 4342/4885ROCK1 4527/4885RAB9A 3176/4885

“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.