SCHEMBL18342952

SCHEMBL18342952

CC(C)CN(c1ccc(Br)c(F)c1NC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 13/20 0.51
▸ NPC1 O15118 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL18342724 0.90 IDO1 (0.48) IDO1NPC1KMT2ARAB9AUBE2M
SCHEMBL18342969 0.85 IDO1 (0.46) IDO1NPC1KMT2AUBE2MDCUN1D1
SCHEMBL18342976 0.83 IDO1 (0.44) IDO1NPC1KMT2ARAB9AUBE2M
SCHEMBL18342963 0.83 IDO1 (0.43) IDO1NPC1KMT2AUBE2MDCUN1D1
SCHEMBL20620246 0.81 IDO1 (0.51) IDO1KMT2AUBE2MDCUN1D1ALDH1A1
SCHEMBL19232077 0.80 IDO1 (0.53) IDO1KMT2AUBE2MDCUN1D1
SCHEMBL18342819 0.80 IDO1 (0.51) IDO1KMT2AUBE2MDCUN1D1ALDH1A1
SCHEMBL19987571 0.79 IDO1 (0.51) IDO1NPC1KMT2ARAB9AUBE2M
SCHEMBL18342751 0.79 IDO1 (0.51) IDO1KMT2AUBE2MDCUN1D1ALDH1A1
SCHEMBL18342907 0.78 IDO1 (0.48) IDO1NPC1KMT2ARAB9AUBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689331-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-23 — — US disclosed
US-20190002402-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 — — US disclosed
EP-3313824-A1 IDO INHIBITORS Bristol-Myers Squibb Company (US) 2018-05-02 — — EP disclosed
WO-2016210414-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 — — 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 (2 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-20190002402-A1 IDO INHIBITORS IDO1, IDO2, INMT IDO1 1/4885NPC1 2825/4885KMT2A 461/4885
US-10689331-B2 IDO inhibitors IDO1, IDO2, INMT IDO1 1/4885NPC1 2825/4885KMT2A 461/4885

“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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