SCHEMBL3545816

SCHEMBL3545816

O=C(O)c1cn(-c2ccccc2)nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
ALDH1A1 P00352 8/20 0.59
HPGD P15428 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 1/20 0.59
ATM Q13315 1/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 4/20 0.51
POLB P06746 3/20 0.50
AURKA O14965 1/20 0.50
TP53 P04637 1/20 0.50
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL22404963 0.87 LMNA (0.55) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL6682360 0.86 ALDH1A1 (0.71) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL16973964 0.83 NR1H4 (0.55) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4501557 0.82 ALDH1A1 (0.82) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL11264852 0.82 KDM4E (0.70) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL22095581 0.82 MEN1 (0.62) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6680213 0.82 MEN1 (0.69) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL6677998 0.81 LMNA (0.71) LMNAALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL11246386 0.80 ALDH1A1 (0.64) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11539970 0.80 PTGS2 (0.68) LMNAALDH1A1HPGDKDM4ESMN1; 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 5 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
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO 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 (3 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 LMNA 1751/4885ALDH1A1 1/4885HPGD 101/4885
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 LMNA 3047/4885ALDH1A1 86/4885HPGD 165/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 LMNA 1751/4885ALDH1A1 1/4885HPGD 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.