SCHEMBL12130855

SCHEMBL12130855

CC(=O)Nc1cccc(N=O)c1N=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL9133028 0.83 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL38651149 0.83 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL10267422 0.77 RXFP1 (0.43) ALDH1A1HPGDKDM4EMAPTCYP2C19
SCHEMBL3275215 0.75 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL5313133 0.72 HPGD (0.57) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL7019222 0.72 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL9165239 0.72 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL12927367 0.71 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTCYP2C19
SCHEMBL20726340 0.71 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTMAOA
SCHEMBL6689158 0.71 ALDH1A1 (0.74) ALDH1A1HPGDMAOACYP2C19POLB

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-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 — — US disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 — — 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-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR4 ALDH1A1 464/4885HPGD 3635/4885KDM4E 2074/4885

“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.

Send feedback