SCHEMBL177107

SCHEMBL177107

O=C(CCl)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.50
VCAM1 P19320 2/20 0.47
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
GSK3B P49841 1/20 0.46
TTR P02766 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CASP6 P55212 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
IRAK4 Q9NWZ3 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
SCHEMBL7744991 0.87 ATM (0.51) ALDH1A1HIF1AVCAM1GSK3BTTR
SCHEMBL12061581 0.85 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL8191291 0.85 ALDH1A1 (0.51) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL2249184 0.84 ITGB1 (0.53) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL16132076 0.84 GSK3B (0.56) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL6740307 0.82 VCAM1 (0.70) ALDH1A1VCAM1MEN1MAPTKMT2A
SCHEMBL1251888 0.81 ALDH1A1 (0.55) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL7399156 0.81 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL28372237 0.81 VCAM1 (0.49) ALDH1A1HIF1AVCAM1ITGB1ITGA5
SCHEMBL4605109 0.81 VCAM1 (0.62) ALDH1A1HIF1AVCAM1ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-1150962-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2001-11-07 EP disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049002-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049004-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL) URACIL COMPOUNDS FROM UREA COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed
EP-0207894-B1 HERBICIDALLY ACTIVE DERIVATIVES OF N-PHENYL-3,4,5,6-TETRAHYDROPHTHALIMIDE CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
US-4950777-A Herbicidally active derivatives of N-phenyl-3,4,5,6-tetrahydrophthalimide CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed
US-4824476-A PLANT GROWTH REGULATOR CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
EP-0207894-A1 Herbicidally active derivatives of N-phenyl-3,4,5,6-tetrahydrophthalimide CIBA-GEIGY AG (CH) 1987-01-07 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 (1 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 ALDH1A1 286/4885HIF1A 2349/4885VCAM1 2230/4885

“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.