SCHEMBL19987474

SCHEMBL19987474

Cc1cc(N(C)C(=O)C(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
EGFR P00533 1/20 0.36
S1PR3 Q99500 1/20 0.36
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 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
SCHEMBL4102599 0.80 MAPT (0.41) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL11644997 0.79 POLB (0.41) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL11642349 0.76 MAPT (0.41) RAB9AALDH1A1NPC1MAPTCYP1A2
SCHEMBL4110458 0.76 NPC1 (0.43) RAB9AALDH1A1NPC1MAPTCYP2C19
SCHEMBL10807240 0.73 NPC1 (0.48) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL27673428 0.73 MAPT (0.33) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL2174281 0.72 PKM (0.36) RAB9AALDH1A1NPC1MAPTCYP2C19
SCHEMBL16828453 0.71
SCHEMBL18275043 0.70 CYP3A4 (0.41) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL8016312 0.68 MAPT (0.52) RAB9AALDH1A1NPC1MAPTCYP1A2

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 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

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT RAB9A 3832/4885ALDH1A1 263/4885NPC1 2350/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT RAB9A 3832/4885ALDH1A1 263/4885NPC1 2350/4885

“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.