SCHEMBL1160372

SCHEMBL1160372

O=C(c1cc([N+](=O)[O-])c[nH]1)C(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CSF1R P07333 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
GALR3 O60755 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
DDX3X O00571 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL18414898 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGLAL3MBTL1
SCHEMBL18414719 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGLAL3MBTL1
SCHEMBL1073975 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGLACSF1R
Water SCHEMBL1662781 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGLACSF1R
SCHEMBL30761569 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGLAL3MBTL1
SCHEMBL1663200 0.72 CREBBP (0.54) ALDH1A1MEN1KMT2AGLAL3MBTL1
SCHEMBL1160193 0.72 MEN1 (0.50) ALDH1A1MEN1KMT2AGLACSF1R
SCHEMBL1185764 0.72 NR3C2 (0.42) ALDH1A1MEN1KMT2AGLAL3MBTL1
SCHEMBL5788317 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGLAL3MBTL1
SCHEMBL276286 0.72 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336761-B2 TGFβ receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-10336761-B2 TGFβ receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
EP-3325484-A1 TGF BETA RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2018-05-30 EP disclosed
WO-2017015425-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-26 WO disclosed
WO-2017015425-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-26 WO disclosed
EP-2376492-B1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-08 EP disclosed
US-8981092-B2 Substituted 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ones as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-17 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1572642-A1 3-PYRROLYL UREA DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052852-A1 3-PYRROLYL UREA DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed
EP-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP disclosed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP 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 (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-10336761-B2 TGFβ receptor antagonist TGFBR2, TGFBR1, SMAD2 ALDH1A1 2841/4885HPGD 2561/4885MEN1 3092/4885
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS TGFBR2, TGFBR1, TGFB2 ALDH1A1 2746/4885HPGD 2568/4885MEN1 2799/4885

“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.