SCHEMBL5820153

SCHEMBL5820153

O=Cc1cn(-c2ccccc2)nc1-c1ccc(F)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.73
PTGS2 P35354 3/20 0.69
KMT2A Q03164 7/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 6/20 0.62
LMNA P02545 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
NLRP3 Q96P20 1/20 0.61
KDM4E B2RXH2 3/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 1/20 0.51
HPGD P15428 1/20 0.49
PIK3CG P48736 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL28358559 0.88 PTGS2 (0.68) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL11250330 0.85 POLB (1.00) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL30511886 0.83 POLB (0.97) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL28358360 0.83 PTGS2 (0.94) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL28358558 0.83 POLB (0.76) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3447906 0.82 PTGS2 (1.00) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL11244220 0.82 PTGS2 (0.71) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL30511902 0.82 PTGS2 (0.71) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL23392558 0.82 PTGS2 (0.86) POLBPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL10579042 0.82 PTGS2 (0.80) POLBPTGS2KMT2AALDH1A1SMN1; 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 3 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
WO-2006033995-A2 THIAZOLIDIN-4-ONES HAVING ANTI-HEPATITIS B ACTIVITY VALEANT RESEARCH AND DEVELOPMENT (US) 2006-03-30 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 (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 POLB 1596/4885PTGS2 908/4885KMT2A 1384/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 POLB 1596/4885PTGS2 908/4885KMT2A 1384/4885

“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.