SCHEMBL4136212

SCHEMBL4136212

CC(=O)Nc1cnc(I)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7220004 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1600717 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL18130725 0.79 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7051189 0.79 GABRP (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL19780075 0.76 NNMT (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL27049502 0.75 NNMT (0.31)
SCHEMBL29819513 0.74 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL19674232 0.73 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31540098 0.72 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL31540032 0.72 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B NPC1 3183/4885RAB9A 1606/4885SMN1; SMN2 3886/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NPC1 3703/4885RAB9A 1726/4885SMN1; SMN2 3772/4885

“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.