SCHEMBL96556

SCHEMBL96556

[CH2]C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.64
TP53 P04637 1/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 1/20 0.64
CDK9 P50750 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
HSD17B10 Q99714 2/20 0.58
NAPRT Q6XQN6 1/20 0.58
TGM2 P21980 1/20 0.58
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
TAAR1 Q96RJ0 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL1177104 0.86 PTPN1 (0.64) SMN1; SMN2TAAR1MAPTALDH1A1PTPN1
SCHEMBL9566474 0.86 SMN1; SMN2 (0.46) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL29128685 0.81 SMN1; SMN2 (0.67) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL5547118 0.81 MGLL (0.72) POLB
Diphenylurea SCHEMBL133103 0.78 SMN1; SMN2 (1.00) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL57554 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28977956 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL7634 0.78 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28162617 0.78 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL2891738 0.77 MAPT (0.60) TP53EPHX1TSHRMAOAMAOB

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 484 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US claimed
EP-3564334-A1 ALDEHYDE SCAVENGER AND ALDEHYDE REMOVAL METHOD Tosoh Corporation (JP) 2019-11-06 EP claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
EP-0153307-A4 USE OF SELENIUM-CONTAINING COMPOUNDS FOR NEGATING THE TOXIC EFFECTS OF GOLD COMPOUNDS USED IN THE TREATMENT OF RHEUMATOID ARTHRITIS, AND A NOVEL SELENIUM-CONTAINING GOLD COMPOUND AND USE THEREOF AS AN ANTI-RHEUMATOID ARTHRITIS MEDICINE. STOCKEL RICHARD F (US) 1987-03-12 EP claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0177392-A1 (Pyridyl-2)-1-piperazines, process for their preparation and their therapeutical use INNOTHERA (FR) 1986-04-09 EP claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
US-4567198-A Ethanethioates and mercaptoamides and use thereof as analgesic and enkephalinase inhibitory compounds ROUSSEL UCLAF (FR) 1986-01-28 US claimed
EP-0153307-A1 USE OF SELENIUM-CONTAINING COMPOUNDS FOR NEGATING THE TOXIC EFFECTS OF GOLD COMPOUNDS USED IN THE TREATMENT OF RHEUMATOID ARTHRITIS, AND A NOVEL SELENIUM-CONTAINING GOLD COMPOUND AND USE THEREOF AS AN ANTI-RHEUMATOID ARTHRITIS MEDICINE STOCKEL, Richard F. (US) 1985-09-04 EP claimed
WO-1985000747-A1 USE OF SELENIUM-CONTAINING COMPOUNDS FOR NEGATING THE TOXIC EFFECTS OF GOLD COMPOUNDS USED IN THE TREATMENT OF RHEUMATOID ARTHRITIS, AND A NOVEL SELENIUM-CONTAINING GOLD COMPOUND AND USE THEREOF AS AN ANTI-RHEUMATOID ARTHRITIS MEDICINE STOCKEL RICHARD F 1985-02-28 WO claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
US-4178383-A Fungicidally active oxime-ethers of isonitrosocyanoacetamides BAYER AKTIENGESELLSCHAFT (DE) 1979-12-11 US claimed
US-4003875-A ULTRAVIOLET ABSORBERS CIBA-GEIGY CORPORATION (US) 1977-01-18 US claimed

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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS EPHX2 474/4885TP53 4020/4885EPHX1 509/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH EPHX2 1034/4885TP53 3575/4885EPHX1 1221/4885

“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.