SCHEMBL300767

SCHEMBL300767

[O]Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
TSHR P16473 1/20 0.59
IDO1 P14902 3/20 0.57
CYP2C19 P33261 3/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
ACHE P22303 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
KCNJ1 P48048 1/20 0.52
KCNH2 Q12809 1/20 0.52
AKR1C3 P42330 1/20 0.50
CHRM2 P08172 1/20 0.50
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
LMNA P02545 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
SCHEMBL28257636 0.86 SRD5A2 (0.65) LOXL2TSHRALDH1A1POLBLMNA
SCHEMBL2588477 0.86 TSHR (0.67) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL173192 0.83 LOXL2 (0.61) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL44366 0.82 POLB (0.76) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL3292782 0.82 TSHR (0.75) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL8094050 0.82 POLB (0.76) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL8087428 0.82 POLB (0.76) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL250472 0.81 TSHR (0.67) LOXL2TSHRIDO1CYP2C19ALDH1A1
SCHEMBL27909482 0.81 ALDH1A1 (0.72) LOXL2TSHRALDH1A1ACHEHSD17B10
SCHEMBL22567 0.81 ALDH1A1 (0.72) LOXL2TSHRALDH1A1ACHEHSD17B10

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 1060 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115925667-B Ratio type near infrared fluorescent probe molecule and preparation method and application thereof 复旦大学 2024-02-02 CN claimed
CN-115925667-A Ratio type near-infrared fluorescent probe molecule and preparation method and application thereof 复旦大学 2023-04-07 CN 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-10774122-B2 ERG targeted therapy THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-15 US claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US 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
EP-3600371-A1 ERG TARGETED THERAPY The Regents of The University of Michigan (US) 2020-02-05 EP claimed
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
US-4029651-A ESTERIFICATION ELI LILLY AND COMPANY (US) 1977-06-14 US claimed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US claimed
US-4012381-A Process for preparing cephalosporins and intermediates SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1977-03-15 US claimed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US claimed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US claimed
US-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US claimed
US-4001226-A 3-(SUBSTITUTED)CARBONYLAMINO CEPHEM DERIVATIVES ELI LILLY AND COMPANY (US) 1977-01-04 US claimed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 US claimed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US claimed
US-3956274-A BACTERICIDES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1976-05-11 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 (4 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 LOXL2 2377/4885TSHR 2014/4885IDO1 381/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH LOXL2 1768/4885TSHR 1802/4885IDO1 412/4885
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES DDT, HPD, PAH LOXL2 2420/4885TSHR 787/4885IDO1 236/4885
US-10774122-B2 ERG targeted therapy ERG, EWSR1, ETV1 LOXL2 3408/4885TSHR 3353/4885IDO1 4737/4885

“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.