SCHEMBL16442886

SCHEMBL16442886

COc1cccc(-n2nnn(C)c2=O)c1COc1ccc(C(=O)O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MRGPRX4 Q96LA9 10/20 0.43
TSHR P16473 1/20 0.40
PPARA Q07869 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15851052 0.93 KMT2A (0.44) HTTMEN1KMT2A
SCHEMBL17286730 0.93 ATM (0.43) HTTMRGPRX4TSHRRXRARXRB
SCHEMBL17804508 0.92 MAPT (0.40) HTTMRGPRX4TSHRPPARARXRA
SCHEMBL16911478 0.92 SMN1; SMN2 (0.43) HTTMRGPRX4CYP3A4CYP2C9CYP2C19
SCHEMBL16549498 0.91 MRGPRX4 (0.45) HTTMRGPRX4PPARARXRARXRB
SCHEMBL16911399 0.91 TAS1R3 (0.36) HTTMRGPRX4MEN1KMT2A
SCHEMBL16442754 0.91 HPGDS (0.40) HTT
SCHEMBL16442895 0.90 KMT2A (0.35) HTTMRGPRX4CYP3A4CYP2C9CYP2C19
SCHEMBL15851193 0.89 TNKS (0.40) HTTMRGPRX4MEN1KMT2A
SCHEMBL15851069 0.89 ATP4A (0.40) HTTMRGPRX4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-21 US disclosed
EP-3040332-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company, Limited (JP) 2016-07-06 EP disclosed
EP-3040332-A1 TETRAZOLINONE COMPOUND AND USE OF SAME Sumitomo Chemical Company, Limited (JP) 2016-07-06 EP disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
WO-2015030217-A1 TETRAZOLINONE COMPOUND AND USE OF SAME 住友化学株式会社 (JP) 2015-03-05 WO disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 HTT 1597/4885MRGPRX4 1910/4885TSHR 51/4885
US-20160205935-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, UQCRB, RPS20 HTT 2540/4885MRGPRX4 1829/4885TSHR 135/4885

“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.