SCHEMBL18112175

SCHEMBL18112175

CC1(C)COB(c2ccc(N3CCC[C@H]3C(C)(C)F)c([N+](=O)[O-])c2)OC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
SERPINE1 P05121 1/20 0.33
S1PR1 P21453 1/20 0.33
GAA P10253 3/20 0.32
GPR174 Q9BXC1 1/20 0.32

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
SCHEMBL18112177 1.00 LMNA (0.38) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL18111078 0.91 LMNA (0.37) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL18111075 0.91 LMNA (0.37) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL18110815 0.80 CASP3 (0.37) MAPTTP53POLBCYP1A2CYP3A4
SCHEMBL18110813 0.80 CASP3 (0.37) MAPTTP53POLBCYP1A2CYP3A4
SCHEMBL18111388 0.77 LMNA (0.45) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL18111386 0.77 LMNA (0.45) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL18110602 0.74 MAPT (0.35) LMNAMAPTALDH1A1POLBCYP2C9
SCHEMBL18111525 0.74 MAPT (0.35) LMNAMAPTALDH1A1POLBCYP2C9
SCHEMBL18110604 0.74 MAPT (0.35) LMNAMAPTALDH1A1POLBCYP2C9

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 8 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-10399932-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-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
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 (7 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 4498/4885MAPT 1988/4885ALDH1A1 707/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT LMNA 4498/4885MAPT 1988/4885ALDH1A1 707/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885MAPT 3241/4885ALDH1A1 263/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LMNA 4373/4885MAPT 3241/4885ALDH1A1 263/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT LMNA 4373/4885MAPT 3241/4885ALDH1A1 263/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT LMNA 4498/4885MAPT 1988/4885ALDH1A1 707/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT LMNA 4373/4885MAPT 3241/4885ALDH1A1 263/4885

“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.