SCHEMBL21753524

SCHEMBL21753524

NC(=O)C1=CN(c2ccccc2)C=CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
RIPK2 O43353 1/20 0.37
PARP1 P09874 3/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 2/20 0.34

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
SCHEMBL22092555 0.85 LDHA (0.33) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL21753518 0.84 MAPK1 (0.35) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL21753502 0.84 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL860052 0.82 PARP1 (0.44) ALDH1A1RIPK2PARP1L3MBTL1LMNA
SCHEMBL2789622 0.80 NPSR1 (0.33) ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL28854513 0.80 CA12 (0.38) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL21891257 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PARP1MAPT
SCHEMBL21753516 0.80 TSHR (0.40) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL11869460 0.74 CYP3A4 (0.33) ALDH1A1KMT2AHSD17B10MEN1HPGD
SCHEMBL7865053 0.73 OPRD1 (0.40) ALDH1A1KDM4EKMT2AMEN1HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12618050-B2 Engineered polypeptides that exhibit increased catalytic efficiency for unnatural cofactors and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-05-05 US claimed
WO-2025245512-A1 METHODS TO SHIFT REDOX EQUILIBRIUM USING AN ORTHOGONAL REDOX COFACTOR, AND APPLICATIONS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-27 WO claimed
US-20230322857-A1 RECOMBINANTLY ENGINEERED POLYPEPTIDES CAPABLE OF RECYCLING NONCANONICAL COFACTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US claimed
US-20220090027-A1 ENGINEERED POLYPEPTIDES THAT EXHIBIT INCREASED CATALYTIC EFFICIENCY FOR UNNATURAL COFACTORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-03-24 US claimed
WO-2020123563-A1 ENGINEERED POLYPEPTIDES THAT EXHIBIT INCREASED CATALYTIC EFFICIENCY FOR UNNATURAL COFACTORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-18 WO claimed
US-12618050-B2 Engineered polypeptides that exhibit increased catalytic efficiency for unnatural cofactors and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-05-05 US disclosed
WO-2025245512-A1 METHODS TO SHIFT REDOX EQUILIBRIUM USING AN ORTHOGONAL REDOX COFACTOR, AND APPLICATIONS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-27 WO disclosed
WO-2024098042-A2 GROWTH-BASED SELECTION PLATFORM FOR NONCANONICAL COFACTOR OXIDIZING ENZYMES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-10 WO disclosed
US-20230322857-A1 RECOMBINANTLY ENGINEERED POLYPEPTIDES CAPABLE OF RECYCLING NONCANONICAL COFACTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-20220090027-A1 ENGINEERED POLYPEPTIDES THAT EXHIBIT INCREASED CATALYTIC EFFICIENCY FOR UNNATURAL COFACTORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-03-24 US disclosed
WO-2020123563-A1 ENGINEERED POLYPEPTIDES THAT EXHIBIT INCREASED CATALYTIC EFFICIENCY FOR UNNATURAL COFACTORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-06-18 WO disclosed
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 WO disclosed
CN-104185627-B Pyridone Derivatives 第三共株式会社 2018-01-12 CN 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 (1 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-12618050-B2 Engineered polypeptides that exhibit increased catalytic efficiency for unnatural cofactors and uses thereof NNMT, NAPRT, NQO1 ALDH1A1 754/4885KDM4E 1913/4885KMT2A 359/4885

“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.