SCHEMBL4152022

SCHEMBL4152022

Clc1cccc2c1NC=[C]C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
HTR5A P47898 1/20 0.40
PNMT P11086 1/20 0.34
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
NSD2 O96028 1/20 0.32
BCHE P06276 1/20 0.32
DAO P14920 1/20 0.32
CES1 P23141 1/20 0.32
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL4432707 0.69 AHR (0.50) AHRHTR5APNMTMAPTCA12
SCHEMBL8471377 0.67 AHR (0.43) AHRHTR5APNMTMAPTNSD2
SCHEMBL3878574 0.61 MAPT (0.56) AHRHTR5APNMTMAPTADRA2A
SCHEMBL1162926 0.59 AHR (1.00) AHRHTR5AMAPTCA12CA1
SCHEMBL5759503 0.59 SRC (0.49) AHRHTR5APNMTMAPTADRA2A
SCHEMBL586484 0.58 ADRA2A (0.42) AHRHTR5APNMTADRA2ACYP2D6
SCHEMBL1764695 0.58 AHR (0.70) AHRHTR5APNMTMAPTCA12
SCHEMBL11534863 0.58 AHR (0.59) AHRHTR5APNMTMAPTNSD2
SCHEMBL25369916 0.57 AHR (0.49) AHRHTR5APNMTMAPTCA12
SCHEMBL586483 0.56 ADRA2A (0.44) AHRHTR5APNMTADRA2ACYP2D6

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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 AHR 117/4885HTR5A 1042/4885PNMT 2345/4885

“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.