SCHEMBL923385

SCHEMBL923385

CNc1ccc(Oc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.41
TSHR P16473 2/20 0.41
PGR P06401 1/20 0.37
NUDT1 P36639 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1B P28222 2/20 0.33
NR1H2 P55055 1/20 0.33
BAX Q07812 1/20 0.33
MAOA P21397 1/20 0.33
HTR1D P28221 1/20 0.33
CA4 P22748 1/20 0.33
PPARG P37231 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8642777 0.79 PGR (0.56) TSHRPGRCYP3A4CYP2C9HPGD
SCHEMBL8645451 0.78 HSD17B10 (0.56) HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL27824651 0.75 TSHR (0.41) TSHRCYP3A4CYP2D6CYP2C19HPGD
SCHEMBL8641407 0.74 PGR (0.43) TSHRPGRCYP3A4CYP2C9HPGD
SCHEMBL5697485 0.74 LTA4H (0.46) LTA4HTSHRPGRNR1H2BAX
SCHEMBL8645376 0.73 PGR (0.55) PGRHPGD
SCHEMBL17010926 0.73 LTA4H (0.50) LTA4HTSHRPGRCYP3A4CYP2C9
SCHEMBL20708903 0.69 MAOA (0.46) LTA4HTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5697484 0.69 LTA4H (0.46) LTA4HTSHRPGRNR1H2BAX
SCHEMBL10950997 0.69 LTA4H (0.46) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 LTA4H 3410/4885TSHR 2588/4885PGR 3863/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 LTA4H 1115/4885TSHR 3952/4885PGR 2824/4885

“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.