SCHEMBL280252

SCHEMBL280252

CC(=O)Oc1ccccc1C(=O)Nc1nc(C)c(CCON(O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PKM P14618 4/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
TP53 P04637 3/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL259358 0.84 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL280414 0.78 TSHR (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL280450 0.78 ALDH1A1 (0.48) ALDH1A1HPGDITGB3ITGA2B
SCHEMBL14599311 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14293840 0.76 ITGB3 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL279370 0.76 TP53 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL24072298 0.76 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13055662 0.76 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL280173 0.74 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14210095 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed
US-7968575-B2 Nitric oxide donors and uses thereof RENOPHARM LTD. (IL) 2011-06-28 US disclosed
US-7579477-B2 Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2009-08-25 US disclosed
US-7498445-B2 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2009-03-03 US disclosed
US-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2008-09-25 US disclosed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 US disclosed
US-7332513-B2 Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-02-19 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-20080233163-A1 Thiazole-based Nitric Oxide donors having Acyl substuent(s) and uses thereof NOS2, NOS1, SQOR RAB9A 4299/4885NPC1 1164/4885SMN1; SMN2 1627/4885

“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.