SCHEMBL772344

SCHEMBL772344

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 3/20 0.42
VCAM1 P19320 3/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 1/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL11443819 0.91 ALDH1A1 (0.42) CYP1A2TSHRCYP3A4VCAM1ALDH1A1
SCHEMBL11443821 0.91 TSHR (0.42) CYP1A2TSHRCYP3A4ALDH1A1MAPT
SCHEMBL29451877 0.91 TSHR (0.42) CYP1A2TSHRCYP3A4ALDH1A1MAPT
SCHEMBL19045951 0.87 VCAM1 (0.48) CYP1A2TSHRCYP3A4VCAM1ALDH1A1
SCHEMBL2551507 0.86 VCAM1 (0.45) CYP1A2TSHRCYP3A4VCAM1ALDH1A1
SCHEMBL29451335 0.86 VCAM1 (0.45) CYP1A2TSHRCYP3A4VCAM1ALDH1A1
SCHEMBL29451339 0.83 TRPV4 (0.41) TSHRCYP3A4ALDH1A1MAPTHSD17B10
SCHEMBL11964594 0.79 VCAM1 (0.41) TSHRCYP3A4VCAM1ALDH1A1MAPT
SCHEMBL29764201 0.79 VCAM1 (0.41) TSHRCYP3A4VCAM1ALDH1A1MAPT
SCHEMBL29451887 0.78 PDGFRB (0.47) VCAM1ALDH1A1MAPTPKMTDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP1A2 1089/4885TSHR 3298/4885CYP3A4 1201/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP1A2 1089/4885TSHR 3298/4885CYP3A4 1201/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP CYP1A2 1089/4885TSHR 3298/4885CYP3A4 1201/4885

“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.