SCHEMBL17215742

SCHEMBL17215742

Cc1cccc(CON=[C]c2ccc(Br)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.48
▸ IDO1 P14902 4/20 0.45
▸ CCR5 P51681 1/20 0.40
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTGER1 P34995 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ AGXT P21549 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17215741 1.00 MAOB (0.48) MAOBIDO1CCR5THRATHRB
SCHEMBL17218030 0.90 IDO1 (0.49) MAOBIDO1MAOATAAR1RAB9A
SCHEMBL17218033 0.90 IDO1 (0.49) MAOBIDO1MAOATAAR1RAB9A
SCHEMBL17218950 0.87 MAOB (0.54) MAOBIDO1CCR5THRATHRB
SCHEMBL17218953 0.87 MAOB (0.54) MAOBIDO1CCR5THRATHRB
SCHEMBL17216291 0.87 IDO1 (0.49) MAOBIDO1THRATHRBMAOA
SCHEMBL17216288 0.87 IDO1 (0.49) MAOBIDO1THRATHRBMAOA
SCHEMBL17216585 0.86 IDO1 (0.45) MAOBIDO1MAOATAAR1
SCHEMBL17217535 0.86 IDO1 (0.45) MAOBIDO1ALDH1A1MAPK1MRGPRX4
SCHEMBL17217532 0.86 IDO1 (0.45) MAOBIDO1ALDH1A1MAPK1MRGPRX4

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
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 — — 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 (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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 MAOB 3611/4885IDO1 2882/4885CCR5 1366/4885

“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.

Send feedback