SCHEMBL23928488

SCHEMBL23928488

N#Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
HPGD P15428 2/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 1/20 0.67
ATM Q13315 1/20 0.64
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
AURKA O14965 4/20 0.53
TP53 P04637 1/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
PTGES O14684 2/20 0.52
ALOX5 P09917 2/20 0.52
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL28771391 0.86 ALDH1A1 (0.78) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL4501557 0.85 ALDH1A1 (0.82) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL30963700 0.85 L3MBTL1 (0.74) ALDH1A1L3MBTL1HPGDATMMAPT
SCHEMBL23928481 0.84 AURKA (0.57) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL23928500 0.84 CA12 (0.73) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL23928613 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL23928662 0.83 MAPT (0.55) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL4502915 0.83 ALDH1A1 (0.74) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL4257667 0.82 ALDH1A1 (0.72) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL6683128 0.82 L3MBTL1 (0.73) ALDH1A1L3MBTL1HPGDKDM4ESMN1; SMN2

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 1/4885L3MBTL1 4048/4885HPGD 101/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 ALDH1A1 1/4885L3MBTL1 4048/4885HPGD 101/4885

“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.