SCHEMBL272154

SCHEMBL272154

O=Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
GPR35 Q9HC97 2/20 0.54
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
S100A4 P26447 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.44
PDE10A Q9Y233 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42

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
SCHEMBL22918190 0.87 ERN1 (0.65) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL1619153 0.87 ERN1 (0.50) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL31339796 0.87 ERN1 (0.50) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL3050110 0.86 GPR35 (0.58) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL103575 0.86 TDP1 (0.59) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL101394 0.86 ERN1 (0.49) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL9141067 0.86 ERN1 (0.49) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL13982712 0.86 ERN1 (0.49) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL700297 0.86 TSHR (0.60) ERN1TDP1GPR35KMT2ATSHR
SCHEMBL18816145 0.84 TDP1 (0.48) ERN1TDP1GPR35KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9018409-B2 Process for functionalization of unsaturated compounds MEURICE R&D ASBL (BE) 2015-04-28 US claimed
EP-2632886-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS Meurice R&D ASBL (BE) 2013-09-04 EP claimed
CN-102229614-B Method for synthesizing 9-aminocamptothecin HENAN DONGTAI PHARM CO LTD 2013-08-21 CN claimed
CN-102229615-B Method for synthesizing 9-nitrocamptothecin HENAN DONGTAI PHARM CO LTD 2013-08-21 CN claimed
US-20130211033-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS MEURICE R&D ASBL (BE) 2013-08-15 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
WO-2000038634-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
EP-0650511-A4 PHOTOTRANSCHROMIC INK. XYTRONYX INC (US) 1996-04-10 EP claimed
EP-0650511-A1 PHOTOTRANSCHROMIC INK XYTRONYX, INC. (US) 1995-05-03 EP claimed
US-5296275-A Water soluble nonionic resin carrier, a light sensitive compound which colors in response to protons, wetting agents, thickeners and flow aids XYTRONYX, INC. (US) 1994-03-22 US claimed
WO-1994001503-A1 PHOTOTRANSCHROMIC INK XYTRONYX, INC. (US) 1994-01-20 WO claimed
EP-0290750-A2 Systems for the visualization of exposure to ultraviolet radiation and for the utilization of ultraviolet radiation to effect color changes XYTRONYX, INC. (US) 1988-11-17 EP claimed
WO-1988007222-A1 SYSTEMS FOR THE VISUALIZATION OF EXPOSURE TO ULTRAVIOLET RADIATION AND FOR THE UTILIZATION OF ULTRAVIOLET RADIATION TO EFFECT COLOR CHANGES XYTRONYX, INC. (US) 1988-09-22 WO claimed
US-4042558-A Filled polymerization products based on carbodiimide copolymers BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 US 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 (2 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
US-20130211033-A1 PROCESS FOR FUNCTIONALIZATION OF UNSATURATED COMPOUNDS F10, RPP30, PUF60 ERN1 1728/4885TDP1 3843/4885GPR35 963/4885

“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.