SCHEMBL19987534

SCHEMBL19987534

CCC(C)(C)c1ccc2nc(C)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LDHA P00338 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
EPHX2 P34913 1/20 0.41
SCN4A P35499 1/20 0.41
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL19987536 0.87 HSD17B10 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL13930850 0.87 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL14642164 0.84 CASR (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL12598436 0.83 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL19618135 0.83 SCN4A (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL14437605 0.83 CASR (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL13896679 0.80 NPC1 (0.38) SMN1; SMN2RAB9ANPC1EPHX2SCN4A
SCHEMBL11956363 0.78 EPHX2 (0.65) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10
SCHEMBL19840307 0.77 CSNK1D (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL19965725 0.75 HSD17B10 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HSD17B10

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 SMN1; SMN2 4521/4885RAB9A 3832/4885NPC1 2350/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SMN1; SMN2 4521/4885RAB9A 3832/4885NPC1 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.