SCHEMBL4882354

SCHEMBL4882354

N=C(NC(=O)O)c1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
BRAF P15056 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
MALT1 Q9UDY8 10/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR1 P32246 1/20 0.43

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
SCHEMBL2850892 0.89 NR1H4 (0.53) NPC1RAB9ABRAFMAPTKDM4E
SCHEMBL2858036 0.88 BRAF (0.44) NPC1RAB9ABRAFMAPTKDM4E
SCHEMBL14539344 0.85 KDM4E (0.52) BRAFMAPTKDM4EALDH1A1NR1H4
SCHEMBL2852818 0.84 NPC1 (0.50) NPC1RAB9ABRAFMAPTKDM4E
SCHEMBL2857034 0.83 KDM4E (0.62) NPC1RAB9ABRAFMAPTKDM4E
SCHEMBL2853811 0.83 SMN1; SMN2 (0.60) NPC1RAB9ABRAFMAPTALDH1A1
SCHEMBL13513708 0.82 KDM4E (0.53) BRAFMAPTKDM4EALDH1A1MALT1
SCHEMBL14539343 0.81 NR1H4 (0.47) BRAFMAPTKDM4EALDH1A1NR1H4
SCHEMBL14539382 0.81 BRAF (0.55) NPC1RAB9ABRAFMAPTKDM4E
SCHEMBL13513752 0.80 BRAF (0.49) NPC1RAB9ABRAFMAPTKDM4E

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 NPC1 3322/4885RAB9A 3176/4885BRAF 738/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885BRAF 738/4885

“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.