SCHEMBL23928613

SCHEMBL23928613

N#Cc1ccc(-n2cc(C(=O)O)c(-c3ccc(C(=O)C(Cl)Cl)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 2/20 0.43
PTGES O14684 3/20 0.42
ALOX5 P09917 3/20 0.42
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL23928672 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL23928507 0.83 PTGS2 (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL23928488 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL23928662 0.82 MAPT (0.55) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL22111346 0.80 MEN1 (0.55) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL30963700 0.80 L3MBTL1 (0.74) ALDH1A1L3MBTL1HPGDATMCA12
SCHEMBL23928481 0.79 AURKA (0.57) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL23928500 0.79 CA12 (0.73) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL29333627 0.72 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E
SCHEMBL6678606 0.70 KDM4E (0.69) ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E

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 ALDH1A1 1/4885SMN1; SMN2 2873/4885L3MBTL1 4048/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885SMN1; SMN2 2873/4885L3MBTL1 4048/4885

“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.