SCHEMBL29950049

SCHEMBL29950049

COC(=O)c1ccc2c(Br)nn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GLA P06280 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7426182 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL30987624 0.88 MAPT (0.44) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL20604896 0.88 MAPT (0.44) ALDH1A1KDM4EHPGDGLAGAA
Methyl Nicotinate SCHEMBL30617266 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL23559707 0.84 ADORA2A (0.47) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL31632926 0.83 HCAR3 (0.46) ALDH1A1KDM4EHPGDJMJD6PARP1
SCHEMBL24337979 0.82 CA12 (0.46) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL23559702 0.82 KDM4E (0.50) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL24338456 0.82 GLA (0.44) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL29491274 0.82 CA12 (0.46) ALDH1A1KDM4EHPGDGLAGAA

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-20250354195-A1 METHOD OF SCREENING UNIV DUNDEE (GB) 2025-11-20 — — US disclosed
WO-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 — — WO disclosed
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2022-11-17 — — 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-20250354195-A1 METHOD OF SCREENING PAICS, COASY, ABCG2 ALDH1A1 275/4885KDM4E 4166/4885HPGD 1782/4885
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF CYP3A7, CYP51A1, NT5C3B ALDH1A1 793/4885KDM4E 586/4885HPGD 1322/4885

“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.

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