SCHEMBL145394

SCHEMBL145394

Nc1ccc(I)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
KMT2A Q03164 4/20 0.63
GFER P55789 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
TDP1 Q9NUW8 4/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
THRB P10828 3/20 0.61
MCL1 Q07820 2/20 0.61
RECQL P46063 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
BLM P54132 1/20 0.61
GLA P06280 1/20 0.59
KEAP1 Q14145 1/20 0.59
ALDH1A1 P00352 6/20 0.57
CDC25B P30305 1/20 0.57
CASP6 P55212 1/20 0.57

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
SCHEMBL27682200 1.00 KDM4E (0.63) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL29622706 1.00 KDM4E (0.63) KDM4EKMT2AGFERRXFP1TDP1
Ammonia Solution, Strong SCHEMBL2316519 0.98 KDM4E (0.61) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL688910 0.83 IKBKB (0.53) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL164836 0.83 ALDH1A1 (0.53) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL9117926 0.81 KDM4E (0.44) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL2327264 0.81 KDM4E (0.41) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL29980197 0.80 MAPT (0.64) KDM4EKMT2ATDP1MAPTMEN1
SCHEMBL1877051 0.80 MAPT (0.64) KDM4EKMT2ATDP1MAPTMEN1
SCHEMBL522679 0.79 PTPN1 (0.55) KDM4EKMT2ATDP1MAPTMEN1

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 1139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN claimed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN claimed
CN-112276412-A Laser welding solder paste and preparation method thereof 苏州恩斯泰金属科技有限公司 2021-01-29 CN claimed
CN-111072576-A Preparation method of lapatinib key intermediate 南京奇可药业有限公司 2020-04-28 CN claimed
CN-106317026-B A kind of compound being able to suppress ErbB/HDAC and preparation method thereof includes its pharmaceutical composition and application thereof 清华大学深圳研究生院 2019-03-22 CN claimed
CN-105111193-B A kind of preparation method of Lapatinib 山东罗欣药业集团股份有限公司 2018-03-06 CN claimed
CN-104070307-B Solder flux composition and solder composition 株式会社田村制作所 2018-02-23 CN claimed
CN-106986895-A Quinazoline ditosylate salt Mutiple Targets antitumoral compounds and its preparation method and application 北京大学 2017-07-28 CN claimed
CN-106317026-A Compounds capable of inhibiting ErbB/HDAC and preparation method thereof, and pharmaceutical composition comprising compounds and application thereof 清华大学深圳研究生院 2017-01-11 CN claimed
CN-101001830-A Method for producing 2-amino-5-iodobenzoic acid MITSUBISHI GAS CHEMICAL CO (JP) 2007-07-18 CN claimed
EP-1777215-A1 METHOD FOR PRODUCING 2-AMINO-5-IODOBENZOIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-04-25 EP claimed
EP-1344775-B1 Preparation of fungicidal quinazolinones and useful intermediates DU PONT (US) 2006-11-29 EP claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
EP-1344775-A1 Preparation of fungicidal quinazolinones and useful intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-17 EP claimed
US-6166208-A Preparation of fungicidal quinazolinones and useful intermediates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-12-26 US claimed
EP-0922037-A1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-16 EP claimed
WO-1997048684-A1 PREPARATION OF FUNGICIDAL QUINAZOLINONES AND USEFUL INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-24 WO claimed
EP-0070198-B1 RADIATION-SENSITIVE COMPOSITION AND PATTERN-FORMATION METHOD USING THE SAME Hitachi, Ltd. (JP) 1985-06-19 EP claimed
EP-0070198-A1 Radiation-sensitive composition and pattern-formation method using the same Hitachi, Ltd. (JP) 1983-01-19 EP 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 (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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES KDM4E 1317/4885KMT2A 2390/4885GFER 1745/4885

“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.