SCHEMBL12884184

SCHEMBL12884184

CC(=O)Nc1nc2ccc(CNc3cc(C)ccc3CCCO)cc2n1Cc1nc(C)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 4/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35

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
SCHEMBL8241502 0.90 HTT (0.41) HTTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12884195 0.90 PTGER1 (0.37) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12884207 0.88 PTGER1 (0.36) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8286263 0.88 CSF1R (0.44) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8247459 0.86 MEN1 (0.44) HTTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL12884187 0.83 CYP1A2 (0.53) HTTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL17521663 0.82 CSF1R (0.45) LMNA
SCHEMBL12226825 0.82 CSF1R (0.46) HTTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8249720 0.81 PLK1 (0.36) LMNA
SCHEMBL8249756 0.79 LMNA (0.33) HTTMEN1KMT2ASMN1; SMN2LMNA

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-7884215-B2 2-substituted benzimidazoles JANSSEN SCIENCES IRELAND UC (IE) 2011-02-08 — — US disclosed
US-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-04-15 — — 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-20100092426-A1 2-SUBSTITUTED BENZIMIDAZOLES HTR4, HRH4, HTR3C HTT 1139/4885MEN1 4381/4885KMT2A 2052/4885

“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