SCHEMBL2523583

SCHEMBL2523583

OC(c1cccnc1)c1c(-c2cccs2)coc1-c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KCNA5 P22460 2/20 0.32
KMT2A Q03164 3/20 0.31

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
SCHEMBL2520440 0.92 TSHR (0.43) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2522127 0.90 TSHR (0.41) TSHRLMNAMAPTSMN1; SMN2CYP2C9
SCHEMBL2520436 0.89 TSHR (0.45) TSHRALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL2337698 0.87 TSHR (0.45) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2520455 0.86 TSHR (0.43) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2521102 0.86 TSHR (0.44) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2518694 0.85 CYP2A6 (0.37) TSHRLMNASMN1; SMN2CYP3A4CYP2A6
SCHEMBL2521511 0.83 TSHR (0.41) TSHRLMNAMAPTSMN1; SMN2CYP2C9
SCHEMBL2522889 0.82 TSHR (0.43) TSHRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2339629 0.82 TSHR (0.44) TSHRALDH1A1LMNAMAPTSMN1; SMN2

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 TSHR 2380/4885ALDH1A1 1012/4885LMNA 4216/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B TSHR 556/4885ALDH1A1 2660/4885LMNA 4815/4885

“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.