SCHEMBL25834398

SCHEMBL25834398

Cc1cccc(CN(C)[C@H]2CCCC[C@@H]2N(C)c2cccc3ccc(C)nc23)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
CXCR4 P61073 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC18A3 Q16572 1/20 0.32
CCR1 P32246 1/20 0.31
RAB9A P51151 1/20 0.31
CCR5 P51681 1/20 0.31
PARP1 P09874 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL31376570 1.00 METAP2 (0.34) METAP2CXCR4HSD17B10SLC18A3CCR1
SCHEMBL25834397 1.00 METAP2 (0.34) METAP2CXCR4HSD17B10SLC18A3CCR1
SCHEMBL31376551 0.91 PARP1 (0.34) CXCR4SLC18A3PARP1
SCHEMBL31376581 0.91 HSD17B10 (0.31) METAP2HSD17B10
SCHEMBL31376557 0.89 TSHR (0.35) METAP2CXCR4HSD17B10SLC18A3RAB9A
SCHEMBL31376575 0.88 CXCR4 (0.34) METAP2CXCR4HSD17B10PARP1
SCHEMBL31376545 0.87 METAP2 (0.34) METAP2CXCR4HSD17B10
SCHEMBL25834386 0.87 METAP2 (0.44) METAP2HSD17B10CCR1RAB9ACCR5
SCHEMBL25834475 0.87 METAP2 (0.44) METAP2HSD17B10CCR1RAB9ACCR5
SCHEMBL25837289 0.87 METAP2 (0.44) METAP2HSD17B10CCR1RAB9ACCR5

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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 US disclosed
US-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 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 (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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 METAP2 2388/4885CXCR4 3074/4885HSD17B10 181/4885

“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.