SCHEMBL23928657

SCHEMBL23928657

C/C(=N\Nc1ccccc1)c1ccc(C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
THRB P10828 1/20 0.64
HTT P42858 3/20 0.63
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
CA9 Q16790 1/20 0.50
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL12670654 0.94 MAPT (0.64) MAPTTHRBHTTKMT2AMEN1
SCHEMBL11730442 0.94 MAPT (0.64) MAPTTHRBHTTKMT2AMEN1
SCHEMBL13345208 0.82 GAA (0.69) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3273659 0.82 GAA (0.69) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4413307 0.82 GAA (0.69) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL16577134 0.82 MAPT (0.49) MAPTTHRBHTTKMT2AMEN1
SCHEMBL31483971 0.81 MAPT (0.44) MAPTTHRBHTTKMT2AMEN1
SCHEMBL31483974 0.81 MAPT (0.44) MAPTTHRBHTTKMT2AMEN1
SCHEMBL23928537 0.80 MAPT (0.67) MAPTTHRBHTTKMT2ARAB9A
SCHEMBL28874997 0.80 MEN1 (0.57) MAPTHTTKMT2AMEN1RAB9A

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 MAPT 4083/4885THRB 3666/4885HTT 3887/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885THRB 3666/4885HTT 3887/4885

“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.