SCHEMBL17616632

SCHEMBL17616632

Cc1cc(OCc2ccccc2[N+](=O)[O-])c(C)c(F)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CCR5 P51681 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16273626 0.89 MAOB (0.47) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616614 0.86 NPC1 (0.48) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616611 0.85 MAOB (0.47) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616635 0.82 MAOB (0.52) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273625 0.81 MAOB (0.49) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616582 0.81 NPC1 (0.48) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL7598113 0.79 HTR1A (0.55) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616612 0.79 NPC1 (0.55) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273706 0.78 MAOB (0.51) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273614 0.78 MAOB (0.48) MAOBHTR1AADRA1DADRA1AADRA1B

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-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 MAOB 2237/4885HTR1A 1367/4885ADRA1D 707/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MAOB 588/4885HTR1A 1659/4885ADRA1D 524/4885

“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.