SCHEMBL16538202

SCHEMBL16538202

CC(C)CN(CC(C)C)c1ccc(Br)c(F)c1N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ IDO1 P14902 4/20 0.31

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
SCHEMBL20597809 0.76 IDO1 (0.36) IDO1
SCHEMBL16538251 0.74 ALDH1A1 (0.38) ALDH1A1GAAIDO1
SCHEMBL20289108 0.72 ALDH1A3 (0.30) —
SCHEMBL15557732 0.69 ALDH1A1 (0.35) ALDH1A1GAAIDO1
SCHEMBL16388499 0.69 HRH4 (0.35) ALDH1A1GAAIDO1
SCHEMBL21993838 0.68 CD44 (0.39) ALDH1A1GAA
SCHEMBL30216060 0.67 KDM1A (0.38) GAA
SCHEMBL1494553 0.67 KDM1A (0.38) GAA
SCHEMBL2374749 0.66 S100B (0.35) ALDH1A1GAA
SCHEMBL31520822 0.64 LMNA (0.40) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 — — EP disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 — — EP disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
EP-3039020-A1 IDO INHIBITORS Bristol-Myers Squibb Company (US) 2016-07-06 — — EP disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 — — WO disclosed
WO-2015031295-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 — — 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-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT ALDH1A1 996/4885GAA 369/4885IDO1 1/4885

“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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