SCHEMBL12838403

SCHEMBL12838403

NOCc1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.64
AGXT P21549 11/20 0.61
CYP3A4 P08684 2/20 0.61

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
Hydrochloric Acid SCHEMBL17289457 0.97 IDO1 (0.65) IDO1AGXTCYP3A4
SCHEMBL438248 0.88 IDO1 (0.78) IDO1AGXTCYP3A4
SCHEMBL234606 0.80 ALDH1A1 (0.55) CYP3A4
SCHEMBL6340074 0.78 IDO1 (1.00) IDO1AGXTCYP3A4
SCHEMBL5912621 0.78 IDO1 (0.64) IDO1AGXTCYP3A4
SCHEMBL18818093 0.76 APP (0.52) IDO1CYP3A4
SCHEMBL4302217 0.76 TSHR (0.50) CYP3A4
SCHEMBL13372043 0.76 IDO1 (0.61) IDO1AGXTCYP3A4
SCHEMBL3154601 0.76 AGXT (1.00) IDO1AGXTCYP3A4
SCHEMBL513260 0.76 TDP1 (0.50) IDO1AGXTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434765-A BCMA monoclonal antibodies and antibody-drug conjugates 杭州多禧生物科技有限公司 2024-08-02 CN claimed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN claimed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN claimed
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN disclosed
CN-115821314-A Method for preparing p-nitrobenzol by electro-reduction hydrogenation of Pd/Cu-CF catalyst 北京林业大学 2023-03-21 CN disclosed
WO-2021020585-A1 HETEROCYCLIC COMPOUND ファイメクス株式会社 2021-02-04 WO disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN disclosed
US-20150343413-A1 METHOD FOR DIRECT PHOTOPATTERNING OF MOLECULES ON SURFACES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885AGXT 365/4885CYP3A4 413/4885

“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.