Sugi Predict

Sugi Predict / Compounds / SCHEMBL3979573

SCHEMBL3979573

SCHEMBL3979573

CC(C)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.48
▸ CYP3A4 P08684 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 4/20 0.46
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ S100A4 P26447 1/20 0.40

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
SCHEMBL28981557 0.86 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL10477072 0.85 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL11526155 0.82 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL10858813 0.82 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL19028028 0.82 AKR1C3 (0.44) ALDH1A1CYP3A4TDP1LMNAGAA
SCHEMBL26922979 0.81 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4TDP1TSHR
SCHEMBL12040933 0.79 ALDH1A1 (0.62) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL9735630 0.79 PDK1 (0.55) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL28981559 0.79 CYP19A1 (0.43) ALDH1A1HPGDNPSR1MCOLN3CYP3A4
SCHEMBL10776650 0.78 KMT2A (0.43) ALDH1A1CYP3A4TDP1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056621-A The method for preparing N (isopropyl benzyl of 5 chlorine 2) cyclopropylamine 拜耳作物科学股份公司 2017-08-18 — — CN claimed
EP-2841413-B1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2017-07-26 — — EP claimed
US-9440908-B2 Process for preparing N-(5-chloro-2-isopropylbenzyl)cyclopropanamine BAYER CROPSCIENCE AG (DE) 2016-09-13 — — US claimed
US-20150094492-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2015-04-02 — — US claimed
EP-2841413-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE Bayer Cropscience AG (DE) 2015-03-04 — — EP claimed
WO-2013160387-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2013-10-31 — — WO claimed
CN-116813475-A Halogenated synthesis method of aromatic ring compound 北京大学 2023-09-29 — — CN disclosed
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 — — US disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
CN-107056621-A The method for preparing N (isopropyl benzyl of 5 chlorine 2) cyclopropylamine 拜耳作物科学股份公司 2017-08-18 — — CN disclosed
EP-2841413-B1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2017-07-26 — — EP disclosed
EP-2841413-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE Bayer Cropscience AG (DE) 2015-03-04 — — EP disclosed
WO-2013160387-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2013-10-31 — — WO disclosed
WO-2013160387-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2013-10-31 — — WO disclosed
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 — — WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 — — WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 — — 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 (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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 ALDH1A1 1534/4885HPGD 4029/4885NPSR1 2136/4885
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 ALDH1A1 1534/4885HPGD 4029/4885NPSR1 2136/4885
US-20150094492-A1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE PNMT, NT5C, CPNE4 ALDH1A1 2465/4885HPGD 328/4885NPSR1 1912/4885

“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.