SCHEMBL640059

SCHEMBL640059

O=C(Cn1c(=O)[nH]c2ccc(I)cc21)N1CCN(c2ccncc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.44
ESR1 P03372 1/20 0.42
PARP1 P09874 2/20 0.41
MAPT P10636 4/20 0.41
CXCR3 P49682 1/20 0.41
KCNH2 Q12809 1/20 0.41
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39

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
SCHEMBL641152 0.87 F10 (0.48) SMN1; SMN2HTTMAPTCXCR3KCNH2
SCHEMBL642096 0.74 F10 (0.42) SMN1; SMN2ESR1PARP1MAPTCYP3A4
SCHEMBL641660 0.74 B3GNT2 (0.47) ALDH1A1KDM4E
SCHEMBL641778 0.71 MAPT (0.44) SMN1; SMN2HTTMAPTTSHRALDH1A1
SCHEMBL3066761 0.69 CCR1 (0.55) SMN1; SMN2MAPTKCNH2
SCHEMBL3074133 0.66 SMN1; SMN2 (0.57) SMN1; SMN2KCNH2
SCHEMBL6180189 0.66 ALDH1A1 (0.58) SMN1; SMN2MAPTMMP2CYP3A4CYP2D6
SCHEMBL640092 0.65 AKR1C3 (0.45) MAPTCYP3A4
SCHEMBL3736567 0.65 CXCR3 (0.52) SMN1; SMN2MAPTCXCR3KCNH2
SCHEMBL7368202 0.65 ITGB3 (0.67) SMN1; SMN2MAPTMMP2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A SMN1; SMN2 3474/4885HTT 3011/4885ESR1 3261/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A SMN1; SMN2 3474/4885HTT 3011/4885ESR1 3261/4885

“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.