SCHEMBL20601299

SCHEMBL20601299

O=C(NC(CC1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GRIN2B Q13224 10/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ CCR1 P32246 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.47
▸ TPSD1 Q9BZJ3 1/20 0.47
▸ TPSG1 Q9NRR2 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46

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
SCHEMBL20618744 0.90 KDM4E (0.55) KDM4EGAASMN1; SMN2CCR1ITGB3
SCHEMBL20618556 0.90 KDM4E (0.55) KDM4EGAASMN1; SMN2CCR1ITGB3
SCHEMBL20601371 0.89 KDM4E (0.51) KDM4EGAASMN1; SMN2CCR1ITGB3
SCHEMBL20618746 0.88 KDM4E (0.54) KDM4EGAACCR1ITGB3ITGA2B
SCHEMBL20601429 0.88 KDM4E (0.49) KDM4EGAASMN1; SMN2CCR1ITGB3
SCHEMBL20601245 0.88 CCR1 (0.49) KDM4EGAASMN1; SMN2CCR1ITGB3
SCHEMBL20601471 0.87 KDM4E (0.48) KDM4EGAASMN1; SMN2CCR1ITGB3
SCHEMBL20601256 0.86 GAA (0.52) KDM4EGAACCR1ITGB3ITGA2B
SCHEMBL20601521 0.86 KDM4E (0.52) KDM4EGAASMN1; SMN2CCR1F2
SCHEMBL20601297 0.86 KDM4E (0.58) KDM4EGAACCR1ITGB3ITGA2B

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
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 — — US disclosed
US-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-18 — — US disclosed
EP-3645519-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 — — EP disclosed
CN-110770222-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 — — CN disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — WO disclosed
WO-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — WO 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-20210078988-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 KDM4E 657/4885GAA 462/4885SMN1; SMN2 2957/4885

“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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