SCHEMBL19231981

SCHEMBL19231981

CCOc1ncc(C(C)CC)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NQO1 P15559 1/20 0.31
AOC3 Q16853 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL19464680 0.84 ACACB (0.37) ACACBKMT2AMEN1ALDH1A1TSHR
SCHEMBL19232022 0.84 ACACB (0.38) ACACBKMT2AMEN1CYP1A2AOC3
SCHEMBL18713902 0.83 TUBB4A (0.37) ACACBKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL12413771 0.83 ACACB (0.41) ACACBKMT2AMEN1CYP1A2TSHR
SCHEMBL19965691 0.82 ALDH1A1 (0.35) ACACBKMT2AALDH1A1TSHRUSP2
SCHEMBL19231978 0.81 ACACB (0.37) ACACBKMT2AMEN1CYP1A2NQO1
SCHEMBL14480215 0.79 ACACB (0.39) ACACBKMT2AMEN1CYP1A2TSHR
SCHEMBL19231971 0.78 SLC2A1 (0.36) ACACBKMT2AMEN1CYP1A2MAPT
SCHEMBL19232037 0.78 ACACB (0.44) ACACBALDH1A1TSHR
SCHEMBL21282962 0.77 MEN1 (0.38) ACACBKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 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 (4 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT ACACB 411/4885KMT2A 461/4885MEN1 2981/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT ACACB 411/4885KMT2A 461/4885MEN1 2981/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ACACB 347/4885KMT2A 400/4885MEN1 2234/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ACACB 347/4885KMT2A 400/4885MEN1 2234/4885

“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.