SCHEMBL17811644

SCHEMBL17811644

COc1cc(C)ccc1-c1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
POLB P06746 2/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
HPGD P15428 3/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL16437138 0.92 ADORA3 (0.37) KDM4ESMN1; SMN2CYP3A4
SCHEMBL17804245 0.91 SMN1; SMN2 (0.36) L3MBTL1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL17614602 0.89 CREBBP (0.31) KDM4ESMN1; SMN2POLBHPGDALDH1A1
SCHEMBL17796907 0.87 MEN1 (0.34) MAPTRAB9ASMN1; SMN2POLBTSHR
SCHEMBL17811641 0.86 BRD9 (0.34) MAPTBRD9BRD7
SCHEMBL17804259 0.86 BRD9 (0.33) BRD9BRD7
SCHEMBL17811645 0.86 GRM2 (0.32)
SCHEMBL17804254 0.86 PDCD1 (0.34) MAPTRAB9AHPGDALDH1A1TSHR
SCHEMBL17799626 0.85 KCNN4 (0.36) L3MBTL1KDM4ESMN1; SMN2HPGDTSHR
SCHEMBL17804238 0.84 BRD9 (0.37) MAPTGAABRD9BRD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 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 (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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 L3MBTL1 738/4885MAPT 2890/4885GAA 3514/4885

“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.