SCHEMBL23928541

SCHEMBL23928541

CC(=O)Oc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
MEN1 O00255 7/20 0.73
NLRP3 Q96P20 1/20 0.73
PTGS2 P35354 3/20 0.67
POLB P06746 2/20 0.63
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL11258989 0.85 KMT2A (1.00) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL23928513 0.84 PTGS2 (0.72) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL23928576 0.82 L3MBTL1 (0.77) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL28358360 0.81 PTGS2 (0.94) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL3447906 0.81 PTGS2 (1.00) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL23928479 0.81 KMT2A (0.70) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL11254624 0.80 PTGS2 (0.80) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL23928527 0.80 PTGS2 (0.80) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL11245208 0.80 KMT2A (0.72) KMT2AMEN1NLRP3PTGS2POLB
SCHEMBL23928608 0.79 PTGS2 (0.72) KMT2AMEN1NLRP3PTGS2POLB

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-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 KMT2A 1384/4885MEN1 3040/4885NLRP3 1092/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 KMT2A 1384/4885MEN1 3040/4885NLRP3 1092/4885

“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.