SCHEMBL23525009

SCHEMBL23525009

Cc1c(NC(=O)C(C)N2CCOCC2)ccc(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
AAK1 Q2M2I8 1/20 0.59
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
WNT3A P56704 7/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL23525007 1.00 NPC1 (0.62) NPC1AAK1ALDH1A1KMT2AMAPK1
SCHEMBL6528205 0.75 AAK1 (0.70) NPC1AAK1ALDH1A1KMT2AMAPK1
SCHEMBL23524968 0.74 ITK (0.42) NPC1AAK1KMT2AMAPK1
SCHEMBL23524967 0.74 ITK (0.42) NPC1AAK1KMT2AMAPK1
SCHEMBL17493831 0.74 AAK1 (1.00) NPC1AAK1ALDH1A1KMT2AMAPK1
SCHEMBL16098443 0.70 WNT3A (0.56) ALDH1A1WNT3A
SCHEMBL16097522 0.70 WNT3A (0.56) ALDH1A1WNT3A
SCHEMBL23567966 0.70 AAK1 (0.50) NPC1AAK1ALDH1A1KMT2AKDM4E
SCHEMBL6533994 0.69 AAK1 (0.52) NPC1AAK1ALDH1A1KMT2AMAPK1
SCHEMBL28847419 0.69 CYP3A4 (0.35) NPC1AAK1ALDH1A1KMT2ASMN1; SMN2

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-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN disclosed
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 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 (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-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK NPC1 1581/4885AAK1 521/4885ALDH1A1 242/4885
US-20210188829-A1 Chemical Compounds ITK, HRH4, HRH1 NPC1 1188/4885AAK1 402/4885ALDH1A1 167/4885

“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.