SCHEMBL23928600

SCHEMBL23928600

CC(=O)n1cccc1C(=O)N1CCN(c2ccc(C(N)=O)c(N3CCCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
CDC7 O00311 2/20 0.41
CDK9 P50750 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 2/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 2/20 0.38
GFER P55789 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
YWHAG P61981 1/20 0.38

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
SCHEMBL23928506 0.87 GAA (0.54) MAPTPOLBNPC1GAATP53
SCHEMBL23928559 0.83 MAPT (0.43) MAPTPOLBNPC1GAATP53
SCHEMBL23928587 0.82 NPSR1 (0.60) MAPTNPC1GAANPSR1MEN1
SCHEMBL30124908 0.80 PARP14 (0.48) MAPTPOLBTP53MEN1KMT2A
SCHEMBL3538450 0.76 NPC1 (0.63) MAPTNPC1CDC7CDK9GAA
SCHEMBL23928689 0.76 HPGDS (0.49) MAPTNPC1CDC7CDK9GAA
SCHEMBL3534452 0.75 ALDH1A1 (0.56) MAPTNPC1CDC7CDK9GAA
SCHEMBL23928588 0.74 GAA (0.56) MAPTPOLBGAATP53MEN1
Hydrochloric Acid SCHEMBL3539657 0.74 ALDH1A1 (0.55) MAPTNPC1CDC7CDK9GAA
SCHEMBL23928523 0.73 MAPT (0.56) MAPTPOLBGAATP53MEN1

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 4083/4885POLB 1596/4885NPC1 1219/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885POLB 1596/4885NPC1 1219/4885

“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.