SCHEMBL23487646

SCHEMBL23487646

Clc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.62
PIM1 P11309 1/20 0.56
CYP1A2 P05177 1/20 0.56
SMO Q99835 2/20 0.55
CNR1 P21554 2/20 0.54
TGFBR1 P36897 2/20 0.54
ASIC3 Q9UHC3 1/20 0.52
CTRC Q99895 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.45
ALDH1A3 P47895 1/20 0.45
GRM5 P41594 1/20 0.45
MAPKAPK2 P49137 1/20 0.45

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
SCHEMBL30501156 1.00 MAP4K4 (0.62) MAP4K4PIM1CYP1A2SMOCNR1
SCHEMBL18603218 1.00 MAP4K4 (0.62) MAP4K4PIM1CYP1A2SMOCNR1
SCHEMBL29854571 0.90 ASIC3 (0.61) MAP4K4PIM1SMOTGFBR1ASIC3
SCHEMBL24291931 0.90 ASIC3 (0.61) MAP4K4PIM1SMOTGFBR1ASIC3
SCHEMBL17694751 0.90 ASIC3 (0.61) MAP4K4PIM1SMOTGFBR1ASIC3
SCHEMBL29578028 0.88 ASIC3 (0.63) MAP4K4PIM1SMOTGFBR1ASIC3
SCHEMBL912763 0.88 ASIC3 (0.63) MAP4K4PIM1SMOTGFBR1ASIC3
SCHEMBL2989004 0.87 CTRC (0.50) MAP4K4PIM1CYP1A2SMOCNR1
SCHEMBL29794052 0.86 ASIC3 (0.61) MAP4K4PIM1SMOTGFBR1ASIC3
SCHEMBL27724751 0.86 ASIC3 (0.61) MAP4K4PIM1SMOTGFBR1ASIC3

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-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 WO 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 MAP4K4 4234/4885PIM1 1309/4885CYP1A2 2830/4885

“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.