SCHEMBL23928498

SCHEMBL23928498

COC(=O)c1ccc(/C=N/Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
GAA P10253 11/20 0.50
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
KMT2A Q03164 7/20 0.50
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 3/20 0.49
MITF O75030 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 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
SCHEMBL4172197 0.82 MAPT (0.70) MAPTGAANPC1RAB9AKMT2A
SCHEMBL4172201 0.82 MAPT (0.70) MAPTGAANPC1RAB9AKMT2A
SCHEMBL4747962 0.82 CA1 (0.64) MAPTGAANPC1RAB9AKMT2A
SCHEMBL4747964 0.82 CA1 (0.64) MAPTGAANPC1RAB9AKMT2A
SCHEMBL15711084 0.81 GAA (0.55) MAPTGAANPC1RAB9AKMT2A
SCHEMBL15711083 0.81 GAA (0.55) MAPTGAANPC1RAB9AKMT2A
SCHEMBL6568159 0.80 PTPN1 (0.58) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL7393 0.80 CA1 (0.57) MAPTALDH1A1TDP1POLBCA1
SCHEMBL21626722 0.78 GAA (0.59) MAPTGAANPC1RAB9AKMT2A
SCHEMBL28266241 0.78 NAMPT (0.53) MAPTNPC1RAB9AKMT2AKDM4E

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 4083/4885GAA 3740/4885NPC1 1219/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 MAPT 4083/4885GAA 3740/4885NPC1 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.