Sugi Predict

Sugi Predict / Compounds / SCHEMBL104147

SCHEMBL104147

SCHEMBL104147

O=[N+]([O-])/C=C/c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.63
▸ RXRA P19793 1/20 0.58
▸ FBP1 P09467 6/20 0.53
▸ TLR4 O00206 2/20 0.53
▸ TLR2 O60603 2/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PRMT1 Q99873 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL104148 1.00 HSP90AA1 (0.63) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL29925427 1.00 HSP90AA1 (0.63) HSP90AA1RXRAFBP1TLR4TLR2
Toluene SCHEMBL27718173 0.90 HSP90AA1 (0.53) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL10513157 0.85 HSP90AA1 (0.65) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL10513164 0.85 HSP90AA1 (0.65) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL10517814 0.82 HSP90AA1 (0.61) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL17512176 0.82 HSP90AA1 (0.61) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL17512177 0.82 HSP90AA1 (0.61) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL4361353 0.80 MAPT (0.61) HSP90AA1RXRAFBP1TLR4TLR2
SCHEMBL4307048 0.80 MAPT (0.61) HSP90AA1RXRAFBP1TLR4TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985208-B A kind of application of load type gold cluster catalyst 中国科学院大连化学物理研究所 2019-04-16 — — CN claimed
CN-105985208-A Application of supported gold cluster catalyst 中国科学院大连化学物理研究所 2016-10-05 — — CN claimed
CN-111217707-B Preparation method of beta-trans-nitroolefin 西北师范大学 2022-09-16 — — CN disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 — — US disclosed
CN-111217707-A preparation method of β -trans-nitroolefin 西北师范大学 2020-06-02 — — CN disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 — — EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 — — CN disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 — — EP disclosed
CN-105985208-B A kind of application of load type gold cluster catalyst 中国科学院大连化学物理研究所 2019-04-16 — — CN disclosed
CN-107011175-B Method for synthesizing chiral gamma-nitrophenol compound 浙江工业大学 2019-02-01 — — CN disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 — — WO disclosed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 — — EP disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 — — EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 — — WO disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 — — US disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 — — WO disclosed
US-4148795-A Dithiocarbamate ester bactericides and fungicides AMERICAN CYANAMID COMPANY (US) 1979-04-10 — — US disclosed
US-4038288-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-07-26 — — US disclosed
US-4011230-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-03-08 — — 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 (3 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX HSP90AA1 2125/4885RXRA 242/4885FBP1 2467/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX HSP90AA1 2125/4885RXRA 242/4885FBP1 2467/4885
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HSP90AA1 3230/4885RXRA 2971/4885FBP1 295/4885

“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.