SCHEMBL4516940

SCHEMBL4516940

CC(Cc1ccccc1)Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.37
▸ SLC18A2 Q05940 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ADRB2 P07550 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL4498654 0.86 ENPP2 (0.35) AKR1C2AKR1C1NPC1RAB9AMAPK1
SCHEMBL4504457 0.85 ENPP2 (0.42) MAPK1
SCHEMBL4504228 0.83 CRHR1 (0.37) NPC1RAB9AMAPK1
SCHEMBL3242951 0.79 MAPT (0.50) LMNANPC1RAB9AMAPK1
SCHEMBL4493361 0.77 ACHE (0.44) NPC1RAB9A
SCHEMBL4502225 0.74 ENPP2 (0.35) ADRB2MAPK1
SCHEMBL4492347 0.74 ENPP2 (0.43) NPC1RAB9A
SCHEMBL4513405 0.70 ENPP2 (0.34) —
SCHEMBL3240151 0.70 SMN1; SMN2 (0.45) LMNANPC1RAB9A
SCHEMBL4502158 0.70 ENPP2 (0.40) LMNANPC1RAB9APOLBMAPK1

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 LMNA 3364/4885SIGMAR1 2299/4885TAAR1 2698/4885

“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.

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