SCHEMBL4134812

SCHEMBL4134812

CC(C)(C)OC(=O)N1CCN(c2cc3[nH]c(-c4nn(C5CCCCO5)cc4[N+](=O)[O-])nc3cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
KCNH2 Q12809 1/20 0.38
GPR174 Q9BXC1 8/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MET P08581 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CHEK2 O96017 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3929262 0.90 MAPT (0.36) MAPTGPR174ALDH1A1SMN1; SMN2MEN1
SCHEMBL3935200 0.89 CHEK2 (0.37) MAPTALDH1A1TBK1CHEK2POLB
SCHEMBL3926150 0.88 MAPT (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL18833241 0.88 CHEK2 (0.35) MAPTALDH1A1TBK1CHEK2POLB
SCHEMBL14311733 0.88 CHEK2 (0.35) MAPTALDH1A1TBK1CHEK2POLB
SCHEMBL3926427 0.86 MAPT (0.42) MAPTGPR174ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4129018 0.85 NAMPT (0.36) MAPTALDH1A1MEN1KMT2ATBK1
SCHEMBL4125135 0.84 MAPT (0.42) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL13373566 0.78 SYK (0.35) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13375334 0.78 ABL1 (0.34)

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-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 US disclosed
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 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-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF RB1, CCNI, CDK2 MAPT 4176/4885KCNH2 3762/4885GPR174 2433/4885

“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.