SCHEMBL23259253

SCHEMBL23259253

Oc1ccccc1-c1nnc(-c2c(O)ccc3ccccc23)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 5/20 0.47
CYP2C19 P33261 4/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 3/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.47
NSD2 O96028 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 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
SCHEMBL6456964 0.87 MAPT (0.46) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL27656012 0.84 ALOX15 (0.58) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL6449916 0.84 L3MBTL1 (0.48) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL6450400 0.83 NPC1 (0.53) KDM4ERAB9AHSD17B10ALDH1A1CYP1A2
SCHEMBL27628784 0.83 HSD17B10 (0.58) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL27620649 0.83 ALOX15 (0.56) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL25591861 0.83 ALOX15 (0.39) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL23259327 0.83 EGFR (0.44) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1
SCHEMBL6451551 0.82 L3MBTL1 (0.53) KDM4ERAB9AHSD17B10ALDH1A1NPC1
SCHEMBL6451368 0.81 MAPT (0.45) KDM4ERAB9ACYP2C19HSD17B10ALDH1A1

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-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-20210113533-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 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-20210113533-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 KDM4E 3201/4885RAB9A 4379/4885CYP2C19 3635/4885
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 KDM4E 3201/4885RAB9A 4379/4885CYP2C19 3635/4885

“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.