SCHEMBL2777077

SCHEMBL2777077

CC/C(=N\O)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 7/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
DAO P14920 1/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.41
GSK3B P49841 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC3 O15379 1/20 0.39
TSHR P16473 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
SCHEMBL2777080 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9656950 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13062106 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28545730 0.76 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28545733 0.76 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9655282 0.75 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9655286 0.75 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11253189 0.74 MEN1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12262035 0.74 RAB9A (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27596097 0.74 CTSL (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
US-4647698-A Novel compositions SANDOZ LTD. (US) 1987-03-03 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 (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-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 NPC1 3806/4885RAB9A 4374/4885SMN1; SMN2 2920/4885

“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.