SCHEMBL2525463

SCHEMBL2525463

Cc1ccc(-c2csc(-c3ccc(F)cc3F)c2C(O)c2cccnc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KCNA5 P22460 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
GRM5 P41594 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL2333702 0.89 CYP2A6 (0.38) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2335611 0.88 TSHR (0.41) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2339629 0.86 TSHR (0.44) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2335937 0.85 ADRB2 (0.39) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2338152 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2334066 0.84 SMN1; SMN2 (0.40) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2333655 0.82 TSHR (0.39) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2332057 0.82 TSHR (0.35) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2335178 0.82 CYP2A6 (0.38) SMN1; SMN2LMNAL3MBTL1GAATSHR
SCHEMBL2331512 0.81 ANO1 (0.38) SMN1; SMN2LMNAL3MBTL1TSHRKCNA5

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-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
WO-2007075487-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-07-05 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 (2 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-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NOX5, CYP3A5, API5 SMN1; SMN2 3172/4885LMNA 4216/4885L3MBTL1 2867/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B SMN1; SMN2 4879/4885LMNA 4815/4885L3MBTL1 4252/4885

“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.