SCHEMBL23928671

SCHEMBL23928671

C=C(C(=O)OC)c1ccc(-c2nn(-c3ccc(C#N)cc3)cc2C(=O)Nc2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
AURKA O14965 6/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
UBE2N P61088 1/20 0.44
KDM5B Q9UGL1 1/20 0.44

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
SCHEMBL23928675 0.90 MEN1 (0.56) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928519 0.90 MEN1 (0.65) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928698 0.88 MEN1 (0.58) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928636 0.87 MEN1 (0.66) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL22095589 0.85 MEN1 (0.68) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL22111346 0.84 MEN1 (0.55) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928473 0.83 MEN1 (0.55) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928597 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928516 0.82 AURKA (0.65) KMT2AMEN1ALDH1A1RAB9AAURKA
SCHEMBL23928480 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1RAB9AAURKA

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 3040/4885ALDH1A1 1/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 KMT2A 1384/4885MEN1 3040/4885ALDH1A1 1/4885

“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.