SCHEMBL20102299

SCHEMBL20102299

Cn1cnc(-c2ccc(Cl)cc2C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.41
▸ XDH P47989 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ FTO Q9C0B1 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL20102295 0.88 TDP1 (0.43) ERN1TDP1CYP2E1CYP2A6CYP2C9
SCHEMBL20102297 0.80 CYP2E1 (0.45) XDHTDP1CYP2E1CYP2A6CYP2C9
SCHEMBL15498619 0.74 ENPP2 (0.38) ERN1XDHTDP1CYP2A6CYP2C9
SCHEMBL20102298 0.73 KDM4E (0.44) ERN1CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18810582 0.73 CYP2A6 (0.53) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL23093177 0.72 ERN1 (0.42) ERN1CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL23092877 0.70 CA1 (0.45) ERN1CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL26635196 0.69 XDH (0.49) ERN1XDHTDP1CYP2C19ALDH1A1
SCHEMBL30540230 0.69 XDH (0.49) ERN1XDHTDP1CYP2C19ALDH1A1
SCHEMBL15169288 0.68 ERN1 (0.50) ERN1XDHTDP1KDM4EALDH1A1

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-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 — — 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-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT ERN1 3571/4885XDH 268/4885TDP1 1271/4885

“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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