SCHEMBL13624442

SCHEMBL13624442

CCc1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
DAO P14920 1/20 0.47
F11 P03951 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
NOS1 P29475 1/20 0.40
DYRK1A Q13627 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL2056276 0.85 LOXL2 (0.68) LOXL2DAOF11SIRT1AHR
SCHEMBL613213 0.81 RHEB (0.52) ALOX15LOXL2DAOF11SIRT1
SCHEMBL287170 0.80 ALOX15 (0.51) ALOX15LOXL2
SCHEMBL10412904 0.78 MAPT (0.64) LOXL2DAOALDH1A1MAPTRXFP1
SCHEMBL6989136 0.78 DAO (0.49) ALOX15LOXL2DAOF11SIRT1
SCHEMBL12979838 0.77 CA2 (0.46) ALOX15DAOALDH1A1MAPTRXFP1
SCHEMBL19329646 0.77 MAPT (0.41) LOXL2DAOALDH1A1MAPTRXFP1
SCHEMBL8309165 0.77 AHR (0.42) LOXL2DAOAHRALDH1A1MAPT
SCHEMBL549051 0.77 DAO (0.47) DAOAHRMAPTRXFP1
SCHEMBL13072463 0.77 LOXL2 (0.41) LOXL2DAOALDH1A1MAPTRXFP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-3442955-B1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE US HEALTH (US) 2021-09-29 EP disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
CN-103201262-B Autotaxin inhibitors and application thereof AMIRA PHARMACEUTICALS, INC. (US) 2016-06-01 CN disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 ALOX15 3483/4885LOXL2 2757/4885DAO 940/4885

“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.