Sugi Predict

Sugi Predict / Compounds / SCHEMBL3926427

SCHEMBL3926427

SCHEMBL3926427

CN1CCCN(c2cc3[nH]c(-c4nn(C5CCCCO5)cc4[N+](=O)[O-])nc3cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 6/20 0.41
▸ GAA P10253 3/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATR Q13535 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ GPR174 Q9BXC1 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
SCHEMBL3926150 0.98 MAPT (0.41) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4125135 0.89 MAPT (0.42) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3929262 0.88 MAPT (0.36) MAPTALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL3928184 0.87 FGFR1 (0.36) FGFR1FGFR2FGFR3KDRATR
SCHEMBL4134812 0.86 MAPT (0.38) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4129276 0.85 CSF1R (0.34) ALDH1A1FGFR1FGFR2FGFR3KDR
SCHEMBL18833149 0.85 ABL1 (0.38) ALDH1A1FGFR1FGFR2FGFR3KDR
SCHEMBL3926000 0.84 FGFR1 (0.37) FGFR1FGFR2FGFR3KDRATR
SCHEMBL3934079 0.84 FGFR1 (0.45) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL4124822 0.82 CSF1R (0.36) ALDH1A1FGFR1FGFR2FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 — — EP disclosed
US-9126969-B2 Pyrazolylbenzimidazole derivatives, compositions containing them and use thereof AVENTIS PHARMA S.A. (FR) 2015-09-08 — — US disclosed
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
US-20090197866-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2009-08-06 — — US disclosed
EP-2041119-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF Aventis Pharma S.A. (FR) 2009-04-01 — — EP disclosed
WO-2008003857-A1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2008-01-10 — — WO 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 4176/4885ALDH1A1 874/4885CYP1A2 246/4885

“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.