SCHEMBL20945201

SCHEMBL20945201

O=c1c2ccc(OCc3ccccc3)cc2c(OS(=O)(=O)C(F)(F)F)nn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
AR P10275 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
MAOB P27338 3/20 0.38
ADORA1 P30542 1/20 0.38
MCHR1 Q99705 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
IP6K1 Q92551 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20945038 0.96 ABCB1 (0.40) ABCB1ARMRGPRX4MAOBADORA1
SCHEMBL20945142 0.85 ABCB1 (0.42) ABCB1ADORA1MCHR1NPC1RAB9A
SCHEMBL20962570 0.84 ADORA1 (0.41) ABCB1ADORA1MCHR1ADORA3
SCHEMBL20945272 0.84 ABCB1 (0.41) ABCB1MRGPRX4ADORA1MMP2MMP9
SCHEMBL20962588 0.81 ADORA1 (0.41) ADORA1MCHR1L3MBTL1ADORA3
SCHEMBL25546330 0.75 NPSR1 (0.47) NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20962574 0.75 ADORA1 (0.41) ABCB1ADORA1MCHR1L3MBTL1
SCHEMBL20962579 0.75 ADORA1 (0.42) ABCB1ADORA1MCHR1MMP2MMP9
SCHEMBL20945113 0.74 IP6K1 (0.46) ARMAOBCTSVCTSLIP6K1
SCHEMBL20945306 0.74 AR (0.47) ARMRGPRX4MAOBMCHR1CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP ABCB1 177/4885AR 4854/4885MRGPRX4 2575/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP ABCB1 177/4885AR 4854/4885MRGPRX4 2575/4885

“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.