SCHEMBL698799

SCHEMBL698799

O=Cc1cccc([N+](=O)[O-])c1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.62
TDP1 Q9NUW8 3/20 0.47
GPR35 Q9HC97 1/20 0.45
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 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
SCHEMBL28827155 0.83 ERN1 (0.47) ERN1TDP1GPR35MAPTNPC1
SCHEMBL16952150 0.83 ERN1 (0.51) ERN1TDP1GPR35MAPTNPC1
SCHEMBL12481825 0.83 ERN1 (0.47) ERN1TDP1GPR35MAPTNPC1
SCHEMBL1592580 0.82 ERN1 (0.46) ERN1TDP1MAPTALDH1A1TSHR
SCHEMBL3010961 0.81 TDP1 (0.61) ERN1TDP1GPR35ALDH1A1TSHR
SCHEMBL24492388 0.80 FBP1 (0.51) ERN1TDP1GPR35MAPTLMNA
SCHEMBL28704930 0.80 FBP1 (0.51) ERN1TDP1GPR35MAPTLMNA
2-Nitrobenzaldehyde SCHEMBL29672618 0.79 ERN1 (0.66) ERN1TDP1MAPTNPC1RAB9A
2-Nitrobenzaldehyde SCHEMBL5654 0.79 ERN1 (0.66) ERN1TDP1MAPTNPC1RAB9A
Ammonia Solution, Strong SCHEMBL28763100 0.79 TDP1 (0.58) ERN1TDP1GPR35ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271177-B Production process of 2-fluoro-3-nitrobenzoic acid 山东极地医药科技有限公司 2024-10-25 CN claimed
CN-118271177-A Production process of 2-fluoro-3-nitrobenzoic acid 山东极地医药科技有限公司 2024-07-02 CN claimed
US-20220257483-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL HENKEL AG & CO. KGAA (DE) 2022-08-18 US claimed
EP-4003286-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL Henkel AG & Co. KGaA (DE) 2022-06-01 EP claimed
CN-114173750-A Improving the stability of agents for treating keratin materials 汉高股份有限及两合公司 2022-03-11 CN claimed
WO-2021013420-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL HENKEL AG & CO. KGAA (DE) 2021-01-28 WO claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US claimed
EP-1796627-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2009-03-04 EP claimed
EP-2018844-A2 Agent for dying fibres which contain keratin comprising derivatives of naphthaldehyde in combination with CH acidic compounds Henkel AG & Co. KGaA (DE) 2009-01-28 EP claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
WO-2000038634-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
US-4456772-A Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US claimed
EP-0061113-B1 METHOD FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED FLUORONITROBENZALDEHYDES BAYER AG (DE) 1984-06-06 EP claimed
EP-0061113-A1 Method for the preparation of optionally substituted fluoronitrobenzaldehydes BAYER AG (DE) 1982-09-29 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-20220257483-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL KRT18, VIM, CDH1 ERN1 2313/4885TDP1 3850/4885GPR35 4257/4885

“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.