SCHEMBL6140974

SCHEMBL6140974

O=[N+]([O-])c1cc(-n2cccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
SCN2A Q99250 2/20 0.43
VCAM1 P19320 1/20 0.42
HPN P05981 1/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39

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
SCHEMBL6140564 0.87 ALDH1A1 (0.47) CYP19A1LMNATSHRSCN2AHPN
SCHEMBL2650646 0.82 SCN2A (0.60) LMNATSHRSCN2AHPNALDH1A1
SCHEMBL2240147 0.78 SCN2A (0.56) LMNASCN2AALDH1A1POLBMAPT
SCHEMBL7826626 0.78 MEN1 (0.48) LMNASMN1; SMN2POLBMAPTMAPK1
SCHEMBL14861198 0.78 SMN1; SMN2 (0.56) LMNACYP3A4SMN1; SMN2ALDH1A1POLB
SCHEMBL1387889 0.75 CYP3A4 (0.44) TSHRCYP3A4SMN1; SMN2ALDH1A1POLB
Benzene SCHEMBL2793854 0.75 CYP19A1 (0.72) CYP19A1LMNATSHRVCAM1CYP3A4
SCHEMBL212845 0.75 CYP19A1 (0.81) CYP19A1LMNATSHRVCAM1CYP3A4
SCHEMBL7123299 0.74 SCN2A (0.51) LMNASCN2ASMN1; SMN2ALDH1A1POLB
SCHEMBL10383590 0.74 ALDH1A1 (0.55) CYP19A1LMNATSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391082-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2019-08-27 US disclosed
US-20180250272-A1 PROTEIN KINASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-09-06 US disclosed
US-20160346254-A1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-12-01 US disclosed
US-20160346254-A1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-12-01 US disclosed
US-20160346254-A1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-12-01 US disclosed
US-9447091-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2016-09-20 US disclosed
US-9447091-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2016-09-20 US disclosed
US-9447091-B2 Protein kinase inhibitors ORION CORPORATION (FI) 2016-09-20 US disclosed
EP-2766354-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-05-18 EP disclosed
EP-2766354-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2016-05-18 EP disclosed
US-20150011548-A1 PROTEIN KINASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2015-01-08 US disclosed
US-20150011548-A1 PROTEIN KINASE INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2015-01-08 US disclosed
EP-2766354-A1 PROTEIN KINASE INHIBITORS Orion Corporation (FI) 2014-08-20 EP disclosed
WO-2013053983-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2013-04-18 WO disclosed
WO-2013053983-A1 PROTEIN KINASE INHIBITORS ORION CORPORATION (FI) 2013-04-18 WO disclosed
US-6919347-B2 Bradykinin B1 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2005-07-19 US disclosed
US-20030229092-A1 Antidiabetic agents; antiinflammatory agents; analgesics; antiallergens PHARMACOPEIA, INC. (US) 2003-12-11 US disclosed
EP-1196411-B1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA INC (US) 2003-09-17 EP disclosed
EP-1196411-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2002-04-17 EP disclosed
WO-2001005783-A1 BRADYKININ B1 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2001-01-25 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 (5 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-20150011548-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 CYP19A1 1690/4885LMNA 3373/4885TSHR 1818/4885
US-20030229092-A1 Antidiabetic agents; antiinflammatory agents; analgesics; antiallergens BDKRB1, BDKRB2, HRH2 CYP19A1 2186/4885LMNA 4493/4885TSHR 2176/4885
US-20160346254-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 CYP19A1 1690/4885LMNA 3373/4885TSHR 1818/4885
US-20180250272-A1 PROTEIN KINASE INHIBITORS FGFR1, FGFR3, FGFR4 CYP19A1 1586/4885LMNA 3470/4885TSHR 1845/4885
US-10391082-B2 Protein kinase inhibitors FGFR1, FGFR3, FGFR4 CYP19A1 1586/4885LMNA 3470/4885TSHR 1845/4885

“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.