SCHEMBL7109930

SCHEMBL7109930

c1cc2c(cc1C1=NCCS1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.50
DCUN1D1 Q96GG9 2/20 0.45
SMN1; SMN2 Q16637 8/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 5/20 0.44
PTGS2 P35354 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
MAPT P10636 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
PKM P14618 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL13238943 0.70 SMN1; SMN2 (0.44) NISCHDCUN1D1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL22162812 0.69 CA12 (0.58) NISCHDCUN1D1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28077679 0.69 LMNA (0.49) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL3569157 0.68 NISCH (0.51) NISCHDCUN1D1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27489704 0.67 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL27368504 0.67 LMNA (0.58) NISCHSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL2692579 0.66 CA12 (0.59) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL29629010 0.66 PTGS2 (0.58) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL26923012 0.66 KDM4E (0.50) NISCHDCUN1D1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6923809 0.66 CA12 (0.54) NISCHSMN1; SMN2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083326-A1 Dihydroxyphenyl derivatives for hepatoprotection and treatment of liver diseases CHOONGWAE PHARM. CO., LTD. (KR) 2003-05-01 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-20030083326-A1 Dihydroxyphenyl derivatives for hepatoprotection and treatment of liver diseases SLC10A1, SLC10A2, ABCB11 NISCH 2150/4885DCUN1D1 2814/4885SMN1; SMN2 2470/4885

“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.