SCHEMBL3029155

SCHEMBL3029155

COC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.58
XDH P47989 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 2/20 0.44
POLB P06746 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NOS1 P29475 1/20 0.43

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
SCHEMBL17687449 0.95 HRH4 (0.54) HRH4XDHMEN1KMT2AMAPT
SCHEMBL6323164 0.89 HRH4 (0.58) HRH4XDHMEN1KMT2AMAPT
SCHEMBL394554 0.85 ALOX15 (0.64) HRH4MEN1KMT2AMAPTGAA
SCHEMBL7365267 0.85 HRH4 (0.55) HRH4MEN1KMT2AMAPTGAA
SCHEMBL5676129 0.83 HRH4 (0.53) HRH4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4739905 0.82 GRIA1 (0.50) HRH4MEN1KMT2AMAPTGAA
SCHEMBL396212 0.82 HRH4 (0.60) HRH4MEN1KMT2AMAPTALDH1A1
SCHEMBL397642 0.81 HRH4 (0.59) HRH4MEN1KMT2AMAPTALDH1A1
SCHEMBL5989626 0.80 CTSV (0.52) MEN1KMT2AMAPTGAAHTT
SCHEMBL2815266 0.77 FLT3 (0.56) HRH4XDHPDGFRBPDGFRAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US disclosed
EP-0594702-B1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS UPJOHN CO (US) 1997-01-29 EP disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 US disclosed
EP-0507861-B1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS UPJOHN CO (US) 1996-09-11 EP disclosed
WO-1996007646-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES CONTAINING A SUBSTITUTED BENZIMIDAZOLE BASE ATTACHED TO A CARBOCYCLIC RING THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-14 WO disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 US disclosed
EP-0594702-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. UPJOHN CO (US) 1994-05-04 EP disclosed
WO-1993001181-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS THE UPJOHN COMPANY (US) 1993-01-21 WO disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 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-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A HRH4 3873/4885XDH 2720/4885MEN1 3206/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HRH4 2569/4885XDH 280/4885MEN1 3585/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A HRH4 3873/4885XDH 2720/4885MEN1 3206/4885

“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.