SCHEMBL25976752

SCHEMBL25976752

Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
PTGS2 P35354 2/20 0.44
ROCK1 Q13464 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ORAI1 Q96D31 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL16017176 0.86 STIM1 (0.41) POLBMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14881540 0.85 HTT (0.56) POLBMAPTSMN1; SMN2PTGS2ROCK1
SCHEMBL21332304 0.79 PTGS2 (0.53) POLBMAPTSMN1; SMN2PTGS2ROCK1
SCHEMBL16017415 0.77 MAPT (0.55) POLBMAPTSMN1; SMN2ROCK1THRB
SCHEMBL14881420 0.77 STIM1 (0.53) POLBMAPTSMN1; SMN2PTGS2ROCK1
SCHEMBL16017416 0.76 STIM1 (0.66) POLBMAPTSMN1; SMN2PTGS2ROCK1
SCHEMBL14887702 0.76 STIM1 (0.50) POLBMAPTSMN1; SMN2PTGS2ROCK1
SCHEMBL14887780 0.76 MAPT (0.57) POLBMAPTSMN1; SMN2ROCK1THRB
SCHEMBL16017417 0.75 MAPT (0.52) POLBMAPTSMN1; SMN2PTGS2ROCK1
SCHEMBL25384454 0.75 HTT (0.51) POLBMAPTSMN1; SMN2ALDH1A1CYP3A4

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-11752148-B2 Pyrazine-containing compound CALCIMEDICA, INC. (US) 2023-09-12 US disclosed
US-20230226058-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE KIDNEY INJURY AVENUE CAPITAL MANAGEMENT II, L.P. 2023-07-20 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-11752148-B2 Pyrazine-containing compound NFATC1, IAPP, NLRP3 POLB 4827/4885MAPT 3453/4885SMN1; SMN2 3099/4885
US-20230226058-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE KIDNEY INJURY CAMKK2, CAMKK1, ATF1 POLB 4815/4885MAPT 4289/4885SMN1; SMN2 4791/4885

“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.