SCHEMBL13833772

SCHEMBL13833772

O=C(c1nc2ccccc2s1)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.58
HSD17B2 P37059 4/20 0.58
RAB9A P51151 4/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
BCL2 P10415 1/20 0.53
MCL1 Q07820 1/20 0.53
BAD Q92934 1/20 0.53
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL8403986 0.85 HSD17B1 (0.79) HSD17B1HSD17B2MAPTCA12CA1
SCHEMBL6319718 0.84 ALDH1A1 (0.66) HSD17B1HSD17B2RAB9AMAPTNPC1
SCHEMBL14020195 0.84 NPC1 (0.55) HSD17B1HSD17B2RAB9AMAPTNPC1
SCHEMBL28480483 0.83 ALDH1A1 (0.56) HSD17B1HSD17B2RAB9AMAPTNPC1
SCHEMBL28727291 0.79 SMN1; SMN2 (0.65) HSD17B1HSD17B2RAB9AMAPTNPC1
SCHEMBL836745 0.79 SMN1; SMN2 (0.65) HSD17B1HSD17B2RAB9AMAPTNPC1
SCHEMBL14021104 0.79 RAB9A (0.62) RAB9AMAPTNPC1HPGDL3MBTL1
SCHEMBL24751 0.78 HSD17B1 (0.62) HSD17B1HSD17B2RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL3610419 0.78 SMN1; SMN2 (0.63) HSD17B1HSD17B2RAB9AMAPTNPC1
SCHEMBL27714204 0.78 SMN1; SMN2 (0.63) HSD17B1HSD17B2RAB9AMAPTNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO 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 (1 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP HSD17B1 2347/4885HSD17B2 3049/4885RAB9A 858/4885

“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.