SCHEMBL18110997

SCHEMBL18110997

CCC(CC(=O)OC)c1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
TNF P01375 1/20 0.36
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL18111884 0.86 HDAC1 (0.42) IDO1TNFHDAC1
SCHEMBL18111334 0.85 TNF (0.35) MEN1KMT2ANPC1RAB9APKM
SCHEMBL18111332 0.85 TNF (0.35) MEN1KMT2ANPC1RAB9APKM
SCHEMBL18110865 0.82 IDO1 (0.43) IDO1PKMTNFHDAC1ALDH1A1
SCHEMBL18112260 0.80 IDO1 (0.45) LMNAIDO1MEN1KMT2ANPC1
SCHEMBL18112272 0.78 MEN1 (0.33) MEN1KMT2ANPC1RAB9APKM
SCHEMBL18112274 0.78 MEN1 (0.33) MEN1KMT2ANPC1RAB9APKM
SCHEMBL16371471 0.76 LMNA (0.39) LMNAHTTIDO1MEN1KMT2A
SCHEMBL18111982 0.76 LMNA (0.39) LMNAHTTIDO1MEN1KMT2A
SCHEMBL18112731 0.75 IDO1 (0.42) IDO1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
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-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 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 (6 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 LMNA 4498/4885HTT 1713/4885IDO1 1/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT LMNA 4498/4885HTT 1713/4885IDO1 1/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885IDO1 1/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885IDO1 1/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT LMNA 4498/4885HTT 1713/4885IDO1 1/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LMNA 4373/4885HTT 3300/4885IDO1 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.