SCHEMBL12884187

SCHEMBL12884187

CC(=O)Nc1nc2ccc(CO)cc2n1Cc1nc(C)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HTT P42858 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NOD1 Q9Y239 2/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ TNF P01375 1/20 0.41
▸ PTGER1 P34995 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL12884186 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTMEN1
SCHEMBL12884177 0.88 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTMEN1
SCHEMBL8248706 0.87 HTT (0.46) CYP1A2CYP2C9CYP2C19HTTMEN1
SCHEMBL12884198 0.85 CSF1R (0.42) CYP1A2HTTSMN1; SMN2MAPTPTGER1
SCHEMBL12884189 0.84 CSF1R (0.44) HTTSMN1; SMN2MAPTLMNAKDM4E
SCHEMBL12884202 0.84 CSF1R (0.43) HTTSMN1; SMN2PTGER1CSF1R
SCHEMBL8283857 0.83 CSF1R (0.57) HTTPOLBALDH1A1CSF1R
SCHEMBL12884184 0.83 HTT (0.43) CYP1A2CYP2C9CYP2C19HTTMEN1
SCHEMBL12884203 0.80 CSF1R (0.43) HTTSMN1; SMN2ALDH1A1CSF1RTSHR
SCHEMBL8286215 0.76 CSF1R (0.57) HTTPOLBALDH1A1CSF1R

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 CYP1A2 573/4885CYP2C9 896/4885CYP2C19 979/4885

“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.

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