SCHEMBL24534612

SCHEMBL24534612

COCCOc1cc(F)c([N+](=O)[O-])cc1N(C)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 3/20 0.38
PTGES O14684 1/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HCAR3 P49019 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL24535067 0.87 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL24535070 0.86 TTR (0.39) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL23525036 0.78 ITK (0.46) ALDH1A1MAPTKDM4EGAAEGFR
SCHEMBL23525038 0.78 ITK (0.46) ALDH1A1MAPTKDM4EGAAEGFR
SCHEMBL21980680 0.77 MAPT (0.45) ALDH1A1MAPTPTGESKDM4EEGFR
SCHEMBL24535146 0.75 IKBKB (0.34) KDM4EGAAHTTKMT2AHPGD
SCHEMBL24534623 0.74 TSPO (0.42) KDM4EHTTKMT2AHPGD
SCHEMBL23525116 0.73 LMNA (0.40) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL24535145 0.70 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL1727023 0.70 PDGFRB (0.42) ALDH1A1MAPTPTGESKDM4ESMN1; 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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease PFIZER INC. (US) 2024-04-25 US disclosed
EP-4263526-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 EP disclosed
WO-2022130171-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 WO disclosed
WO-2022130171-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE PFIZER INC. (US) 2022-06-23 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-20240132477-A1 Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease ITK, BLK, BCKDK ALDH1A1 412/4885MAPT 2329/4885PTGES 1422/4885

“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.