SCHEMBL21483129

SCHEMBL21483129

O=[N+]([O-])/C=C/c1ccc(Oc2c(F)cccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.65
TLR2 O60603 5/20 0.65
FBP1 P09467 12/20 0.56
VCP P55072 1/20 0.48
EGFR P00533 2/20 0.47
ERBB2 P04626 1/20 0.46
TERT O14746 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL21482523 0.82 TLR4 (0.54) TLR4TLR2FBP1VCPEGFR
SCHEMBL12635599 0.81 FBP1 (0.79) TLR4TLR2FBP1VCPEGFR
SCHEMBL510018 0.79 TLR4 (1.00) TLR4TLR2FBP1EGFRERBB2
SCHEMBL510019 0.79 TLR4 (1.00) TLR4TLR2FBP1EGFRERBB2
SCHEMBL15516304 0.76 HSPB1 (0.62)
SCHEMBL21486341 0.76 NFE2L2 (0.40) TLR4TLR2
SCHEMBL505416 0.75 ALDH1A1 (0.50)
SCHEMBL18533681 0.75 FBP1 (0.68) TLR4TLR2FBP1VCPEGFR
SCHEMBL6910815 0.74 FBP1 (0.78) TLR4TLR2FBP1VCPEGFR
SCHEMBL6910818 0.74 FBP1 (0.78) TLR4TLR2FBP1VCPEGFR

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-20210147428-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-05-20 US disclosed
WO-2021057998-A1 PREPARATION METHOD FOR PYRROLOAMINOPYRIDAZINONE COMPOUND 上海森辉医药有限公司 2021-04-01 WO disclosed
EP-3778591-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-02-17 EP disclosed
WO-2019196915-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF 江苏恒瑞医药股份有限公司 2019-10-17 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 (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-20210147428-A1 METHOD FOR PREPARING PYRROLOAMINOPYRIDAZINONE COMPOUND AND INTERMEDIATES THEREOF DHPS, PPOX, PNPO TLR4 3371/4885TLR2 4629/4885FBP1 678/4885

“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.