SCHEMBL25837289

SCHEMBL25837289

Cc1ccc2cccc(N(C)C3CCCC[C@@H]3N(C)c3cccc4ccc(C)nc34)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
CCR1 P32246 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.41
PARP1 P09874 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GLO1 Q04760 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
AGTR1 P30556 1/20 0.34
PAX8 Q06710 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
MCHR1 Q99705 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRHBP P24387 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL25834475 1.00 METAP2 (0.44) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL25834386 1.00 METAP2 (0.44) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL25834397 0.87 METAP2 (0.34) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL31376570 0.87 METAP2 (0.34) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL25834398 0.87 METAP2 (0.34) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL25835701 0.87 METAP2 (0.42) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL31376575 0.84 CXCR4 (0.34) METAP2PARP1HSD17B10
SCHEMBL31376545 0.83 METAP2 (0.34) METAP2HSD17B10GLO1
SCHEMBL31376557 0.83 TSHR (0.35) METAP2RAB9AHSD17B10CYP2C9CYP2C19
SCHEMBL31376581 0.82 HSD17B10 (0.31) METAP2HSD17B10

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 1 patent. 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

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 2388/4885CCR1 4491/4885RAB9A 425/4885

“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.