SCHEMBL513242

SCHEMBL513242

ClCc1csc(-c2ccco2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
TDP1 Q9NUW8 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GFER P55789 3/20 0.50
KDM4E B2RXH2 7/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 4/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
CYP19A1 P11511 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 4/20 0.45
PKM P14618 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
PIM1 P11309 1/20 0.43
HCRTR1 O43613 1/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL10475796 0.77 HPGD (0.45) ALDH1A1GFERKDM4EMAPTLMNA
SCHEMBL7253210 0.77 CYP19A1 (0.72) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL3174501 0.75 GFER (0.64) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL19380200 0.74 HCRTR1 (0.53) KDM4ELMNARAB9ANPC1CYP19A1
SCHEMBL21823786 0.74 CYP19A1 (0.50) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL10144382 0.74 CYP19A1 (0.50) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL9829889 0.74 MAPT (0.58) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL6191938 0.73 GFER (0.50) ALDH1A1TDP1L3MBTL1GFERKDM4E
SCHEMBL20507209 0.72 RAB9A (0.52) ALDH1A1L3MBTL1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL27350547 0.72 CYP19A1 (0.49) ALDH1A1TDP1L3MBTL1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159640-A Environment-friendly sealing adhesive and preparation method thereof 张可新 2021-01-01 CN claimed
CN-111394868-A Anti-infection antibacterial fabric for infants and preparation method thereof 张海军 2020-07-10 CN claimed
CN-112159640-A Environment-friendly sealing adhesive and preparation method thereof 张可新 2021-01-01 CN disclosed
CN-111394868-A Anti-infection antibacterial fabric for infants and preparation method thereof 张海军 2020-07-10 CN disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 ALDH1A1 2610/4885TDP1 2680/4885L3MBTL1 1294/4885

“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.