SCHEMBL23055553

SCHEMBL23055553

CSC(SC)=C1C(=O)N(C)c2ccc(N(C)C)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ EGFR P00533 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ SNCA P37840 3/20 0.41
▸ APP P05067 2/20 0.41
▸ CASP3 P42574 4/20 0.36
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MEN1 O00255 2/20 0.35

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
SCHEMBL9352371 0.69 ALDH1A1 (1.00) ALDH1A1MAPTAPPCASP3HPGD
SCHEMBL23055458 0.65 ALDH1A1 (0.48) ALDH1A1MAPTSNCAAPPCASP3
SCHEMBL23055560 0.64 ALDH1A1 (0.47) ALDH1A1MAPTSNCAAPPCASP3
SCHEMBL3217252 0.64 ALDH1A1 (0.70) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL9313768 0.64 ALDH1A1 (0.46) ALDH1A1MAPTSNCAAPPHPGD
SCHEMBL22364250 0.64 — —
SCHEMBL23055673 0.64 ALDH1A1 (0.46) ALDH1A1MAPTSNCAAPPCASP3
SCHEMBL23055547 0.63 ALDH1A1 (0.45) ALDH1A1MAPTSNCAAPPCASP3
SCHEMBL23055465 0.63 ALDH1A1 (0.45) ALDH1A1MAPTSNCAAPPCASP3
SCHEMBL23055766 0.62 ALDH1A1 (0.44) ALDH1A1MAPTSNCAAPPCASP3

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-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 — — US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 — — US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 — — 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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 ALDH1A1 1006/4885EGFR 4871/4885MAPT 2505/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 ALDH1A1 1006/4885EGFR 4871/4885MAPT 2505/4885

“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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