SCHEMBL19965699

SCHEMBL19965699

CCC(C)(C)c1ccc(C(N)=O)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
VNN1 O95497 2/20 0.38
SIRT6 Q8N6T7 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.36
GSK3B P49841 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
NNMT P40261 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL19987504 0.87 KMT2A (0.60) KMT2AVNN1SIRT6TDP1MAPK1
SCHEMBL16282575 0.85 KDM4E (0.49) KMT2ATDP1MAPK1ALDH1A1MEN1
SCHEMBL2678960 0.82 KMT2A (0.68) KMT2ASIRT6MAPK1SMN1; SMN2ALDH1A1
SCHEMBL30435122 0.81 KMT2A (0.66) KMT2AVNN1SIRT6MAPK1NAMPT
SCHEMBL6471125 0.81 KMT2A (0.66) KMT2AVNN1SIRT6MAPK1NAMPT
SCHEMBL19135681 0.81 USP7 (0.41) KMT2ATDP1ALDH1A1NPC1RAB9A
SCHEMBL2677722 0.79 KMT2A (0.74) KMT2AVNN1SIRT6MAPK1SMN1; SMN2
SCHEMBL19252759 0.77 KMT2A (0.36) KMT2ATDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5132154 0.77 KMT2A (0.53) KMT2ASIRT6TDP1ALDH1A1MEN1
SCHEMBL1996711 0.75 KMT2A (1.00) KMT2AVNN1SIRT6MAPK1SMN1; SMN2

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 2 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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 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 (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-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KMT2A 400/4885VNN1 1727/4885SIRT6 1044/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KMT2A 400/4885VNN1 1727/4885SIRT6 1044/4885

“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.