SCHEMBL3150441

SCHEMBL3150441

COC(C)NC(=O)c1cc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
PDE2A O00408 7/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
CHRM2 P08172 1/20 0.32

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
SCHEMBL3150286 0.86 SMN1; SMN2 (0.44) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5768524 0.79 KMT2A (0.48) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL15995601 0.77 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2PDE2AADORA3
SCHEMBL21176491 0.75 GABRR1 (0.35) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL169064 0.74
SCHEMBL17873901 0.74 KMT2A (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5768783 0.73 KMT2A (0.47) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL466479 0.72
SCHEMBL877674 0.72
SCHEMBL27863520 0.72 KDM4E (0.56) ALDH1A1HTTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 ALDH1A1 2383/4885HTT 262/4885SMN1; SMN2 101/4885

“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.