SCHEMBL23392575

SCHEMBL23392575

COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.75
HDAC2 Q92769 11/20 0.75
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
KDM4E B2RXH2 2/20 0.66
LMNA P02545 1/20 0.66
MAPT P10636 1/20 0.66
PTGS1 P23219 2/20 0.65
PTGS2 P35354 2/20 0.65
NLRP3 Q96P20 1/20 0.61
AURKA O14965 1/20 0.58
ALDH1A1 P00352 1/20 0.56
ABCB1 P08183 1/20 0.56
HTT P42858 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL6680296 0.95 HDAC1 (0.72) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL23392538 0.95 HDAC1 (0.72) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL6691310 0.90 PTGS1 (0.76) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL6689596 0.90 HDAC1 (0.66) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL23392572 0.90 PTGS1 (0.76) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL6688392 0.89 KMT2A (0.65) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL23392570 0.89 HDAC1 (0.73) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL23392569 0.89 HDAC1 (0.73) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL23392577 0.85 HDAC1 (0.66) HDAC1HDAC2MEN1KMT2AKDM4E
SCHEMBL23392576 0.85 HDAC1 (0.66) HDAC1HDAC2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999720-B2 Pyrazolylacylpyrazoline compounds and method for treating pain THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-06-04 US disclosed
US-20210155609-A1 PYRAZOLYLACYLPYRAZOLINE COMPOUNDS AND METHOD FOR TREATING PAIN THE TRUSTEES OF INDIANA UNIVERSITY 2021-05-27 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-20210155609-A1 PYRAZOLYLACYLPYRAZOLINE COMPOUNDS AND METHOD FOR TREATING PAIN ACHE, TRPV1, GRIK3 HDAC1 1324/4885HDAC2 1112/4885MEN1 4046/4885
US-11999720-B2 Pyrazolylacylpyrazoline compounds and method for treating pain ACHE, TRPV1, GRIK3 HDAC1 1324/4885HDAC2 1112/4885MEN1 4046/4885

“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.