SCHEMBL18112202

SCHEMBL18112202

CCC(CC(=O)OC)c1ccc(N2CCC(C)CC2)c(NC(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
TP53 P04637 4/20 0.43
IDO1 P14902 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CSF1R P07333 1/20 0.38
TSHR P16473 1/20 0.38
SHMT2 P34897 1/20 0.38
BRPF1 P55201 1/20 0.38

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
SCHEMBL18111697 0.91 IDO1 (0.48) MEN1KMT2AMAPTLMNATP53
SCHEMBL18112096 0.87 IDO1 (0.43) MEN1KMT2AMAPTLMNATP53
SCHEMBL18110702 0.81 IDO1 (0.42) MEN1KMT2AMAPTLMNATP53
SCHEMBL18112002 0.81 IDO1 (0.42) MEN1KMT2AMAPTLMNATP53
SCHEMBL18110704 0.81 IDO1 (0.42) MEN1KMT2AMAPTLMNATP53
SCHEMBL18112224 0.81 IDO1 (0.41) MEN1KMT2AMAPTLMNATP53
SCHEMBL18112225 0.81 IDO1 (0.41) MEN1KMT2AMAPTLMNATP53
SCHEMBL18112306 0.80 ALDH1A1 (0.43) MAPTIDO1KDM4ESMN1; SMN2CSF1R
SCHEMBL18112081 0.79 MAPT (0.37) MEN1KMT2AMAPTLMNATP53
SCHEMBL18112079 0.79 MAPT (0.37) MEN1KMT2AMAPTLMNATP53

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 MEN1 2981/4885KMT2A 461/4885MAPT 1988/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MEN1 2981/4885KMT2A 461/4885MAPT 1988/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MEN1 2234/4885KMT2A 400/4885MAPT 3241/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MEN1 2234/4885KMT2A 400/4885MAPT 3241/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MEN1 2234/4885KMT2A 400/4885MAPT 3241/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MEN1 2981/4885KMT2A 461/4885MAPT 1988/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MEN1 2234/4885KMT2A 400/4885MAPT 3241/4885

“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.