SCHEMBL9932398

SCHEMBL9932398

Cn1c(-c2ccnc(N3CCCNCC3)c2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NMT1 P30419 4/20 0.48
NCF1 P14598 2/20 0.46
DYRK1A Q13627 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PRKD3 O94806 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
ATR Q13535 2/20 0.45
ADRB1 P08588 1/20 0.44
PLD1 Q13393 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL9968482 0.97 MEN1 (0.52) KARS1MEN1KMT2ANMT1NCF1
SCHEMBL9968309 0.90 MEN1 (0.55) MEN1KMT2ANMT1KDM4ENPC1
SCHEMBL9968330 0.90 MEN1 (0.55) MEN1KMT2ANMT1KDM4ENPC1
SCHEMBL9932266 0.88 MEN1 (0.58) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL3510814 0.82 HTR7 (0.52) NCF1CHRNB2CHRNA4ATRADRB1
SCHEMBL9968316 0.82 MEN1 (0.51) KARS1MEN1KMT2AKDM4ENPC1
Hydrochloric Acid SCHEMBL3508355 0.81 HTR7 (0.51) NCF1CHRNB2CHRNA4ATRADRB1
SCHEMBL9932466 0.81 MEN1 (0.50) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL9931742 0.81 MEN1 (0.50) KARS1MEN1KMT2AKDM4ENPC1
SCHEMBL9932455 0.80 ITGB2 (0.49) MEN1KMT2ANCF1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 KARS1 1813/4885MEN1 1168/4885KMT2A 310/4885

“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.