SCHEMBL4359327

SCHEMBL4359327

c1ccc(CNn2cnc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 3/20 0.54
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
TNF P01375 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 3/20 0.50
LCK P06239 1/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
MAPK8 P45983 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL3236152 0.87 ASAH1 (0.43) ASAH1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL4952594 0.80 SRC (0.51) ASAH1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL4952864 0.80 ASAH1 (0.39) ASAH1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL4953476 0.75 FGFR1 (0.40) ASAH1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL4953499 0.75 FGFR1 (0.40) ASAH1CYP11B1CYP11B2TNFSMN1; SMN2
SCHEMBL15022038 0.75 TDP1 (0.52) CYP11B1CYP11B2TNFSMN1; SMN2LMNA
SCHEMBL1062170 0.75 TDP1 (0.44) CYP11B1CYP11B2TNFSMN1; SMN2LMNA
SCHEMBL8593200 0.73 LTA4H (0.47) LMNAALOX15HSD17B10TDP1KDM4E
SCHEMBL239691 0.73 HTT (0.48) ASAH1CYP11B1CYP11B2TNFL3MBTL1
SCHEMBL31555917 0.72 EGLN1 (0.44) SMN1; SMN2LMNAL3MBTL1HTTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055741-B2 Contacting crop plants with compositions ROHM AND HAAS COMPANY (US) 2015-06-16 US disclosed
EP-1856976-B1 Contacting crop plants with compositions ROHM & HAAS (US) 2014-09-03 EP disclosed
EP-2070419-A1 A liquid composition for treating plants Rohm and Haas Company (US) 2009-06-17 EP disclosed
EP-1856976-A2 Contacting crop plants with compositions Rohm and Haas Company (US) 2007-11-21 EP disclosed
US-20070265166-A1 Contacting crop plants with compositions ALTER DOMUS US LLC 2007-11-15 US disclosed
US-20070117720-A1 Compositions with cyclopropenes AGROFRESH, INC. 2007-05-24 US disclosed
EP-1787513-A2 Compositions with cyclopropenes Rohm and Haas Company (US) 2007-05-23 EP disclosed
US-20060160704-A1 Plant growth regulation BASEL RICHARD M 2006-07-20 US disclosed
EP-1680960-A1 Plant growth regulation Rohm and Haas Company (US) 2006-07-19 EP disclosed
EP-0233040-A2 Stigma of crocus sativus L. and method for the production thereof AJINOMOTO CO., INC. (JP) 1987-08-19 EP 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 (3 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-20070265166-A1 Contacting crop plants with compositions PIN1, MYB, CROCC ASAH1 445/4885CYP11B1 2808/4885CYP11B2 2953/4885
US-20060160704-A1 Plant growth regulation MYB, SLTM, YAP1 ASAH1 2594/4885CYP11B1 1428/4885CYP11B2 1848/4885
US-20070117720-A1 Compositions with cyclopropenes MYB, OSBP, FAR1 ASAH1 1799/4885CYP11B1 122/4885CYP11B2 178/4885

“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.