SCHEMBL4502158

SCHEMBL4502158

COc1ccc(CC(CO)Nc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nn2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.40
▸ TPH1 P17752 1/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ USP2 O75604 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ FYN P06241 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CASR P41180 1/20 0.35
▸ ADRB3 P13945 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL4504457 0.82 ENPP2 (0.42) ENPP2MAPTCYP3A4KDM4ECASR
SCHEMBL4502225 0.77 ENPP2 (0.35) ENPP2MAPK1
SCHEMBL4504228 0.76 CRHR1 (0.37) ENPP2USP2CYP3A4CASRNPC1
SCHEMBL4513405 0.75 ENPP2 (0.34) ENPP2
SCHEMBL4498654 0.75 ENPP2 (0.35) ENPP2USP2NPC1RAB9AMAPK1
SCHEMBL4506487 0.72 PSEN1 (0.48) ENPP2MAPTUSP2NPC1RAB9A
SCHEMBL3240221 0.71 HSP90AA1 (0.41) MAPTCYP3A4FYNKDM4EPOLB
SCHEMBL4516940 0.70 LMNA (0.39) POLBNPC1RAB9ALMNAMAPK1
SCHEMBL3246833 0.66 CALM1 (0.40) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL3235159 0.64 NPC1 (0.45) MAPTTSHRFYNNPC1RAB9A

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 ENPP2 778/4885TPH1 1822/4885ALOX15 1727/4885

“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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