SCHEMBL721792

SCHEMBL721792

O=C(NO)c1cc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
ALDH1A1 P00352 2/20 0.72
GAA P10253 1/20 0.72
MAPK1 P28482 1/20 0.72
NPC1 O15118 1/20 0.68
LMNA P02545 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
FLT3 P36888 1/20 0.67
HSD17B10 Q99714 2/20 0.65
MAPT P10636 1/20 0.65
DAO P14920 1/20 0.65
HPGD P15428 1/20 0.65
SRD5A2 P31213 1/20 0.65
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC10 Q969S8 1/20 0.59

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
SCHEMBL31081137 1.00 KDM4E (0.72) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL29580477 0.84 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL29354546 0.84 KDM4E (0.70) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL474835 0.84 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL1254745 0.84 KDM4E (0.70) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL23331084 0.84 FLT3 (0.70) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL4940211 0.82 HDAC1 (0.68) KDM4EALDH1A1GAAMAPK1HSD17B10
Methane SCHEMBL22343918 0.82 FLT3 (0.96) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL5894386 0.82 FLT3 (0.62) KDM4EALDH1A1GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL30164372 0.82 KDM4E (0.68) KDM4EALDH1A1GAAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111841896-B Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2022-10-18 CN disclosed
CN-109096272-B Indole hydroxamic acid compound with anti-tumor activity and application thereof 沈阳药科大学 2021-04-02 CN disclosed
CN-109096272-B Indole hydroxamic acid compound with anti-tumor activity and application thereof 沈阳药科大学 2021-04-02 CN disclosed
CN-109096272-B Indole hydroxamic acid compound with anti-tumor activity and application thereof 沈阳药科大学 2021-04-02 CN disclosed
CN-111841896-A Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2020-10-30 CN disclosed
CN-109096272-A A kind of indoles hydroxamic acid compound with anti-tumor activity and its application 沈阳药科大学 2018-12-28 CN disclosed
CN-109096272-A A kind of indoles hydroxamic acid compound with anti-tumor activity and its application 沈阳药科大学 2018-12-28 CN disclosed
CN-109096272-A A kind of indoles hydroxamic acid compound with anti-tumor activity and its application 沈阳药科大学 2018-12-28 CN disclosed
CN-104080451-B Use of indole hydroxamic acids and indoline hydroxamic acids for the treatment of heart failure or nerve injury 台北医学大学 2016-08-24 CN disclosed
CN-104080451-B Use of indole hydroxamic acids and indoline hydroxamic acids for the treatment of heart failure or nerve injury 台北医学大学 2016-08-24 CN disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
CN-1630512-A Pharmaceutical tablet PHARMACIA CORP (US) 2005-06-22 CN disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 US disclosed
EP-0544819-B1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1995-12-06 EP disclosed
US-5459150-A Treatment of allergies and inflammatory diseases ABBOTT LABORATORIES (US) 1995-10-17 US disclosed
EP-0544819-A4 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS 1993-10-20 EP disclosed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP disclosed
US-5095031-A Enzyme inhibitors, antiallergens, antiinflammatory ABBOTT LABORATORIES (US) 1992-03-10 US disclosed
WO-1992003132-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1992-03-05 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 (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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 KDM4E 3470/4885ALDH1A1 896/4885GAA 2674/4885

“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.