Sugi Predict

Sugi Predict / Compounds / SCHEMBL588563

SCHEMBL588563

SCHEMBL588563

Cc1nc2cc([N+](=O)[O-])ccc2n1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.56
▸ PKM P14618 3/20 0.56
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ MAPT P10636 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ HPGD P15428 1/20 0.49
▸ CYP19A1 P11511 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL20358007 0.98 RAB9A (0.60) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL2481608 0.87 RAB9A (0.52) RAB9ANPC1ALDH1A1PKMKMT2A
Ammonia Solution, Strong SCHEMBL29063683 0.86 RAB9A (0.51) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL20982763 0.84 ALDH1A1 (0.72) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL28454121 0.83 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL4978822 0.83 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL4978556 0.83 ALDH1A1 (0.55) RAB9AALDH1A1PKMKMT2AMEN1
SCHEMBL209281 0.81 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL10986929 0.81 ALDH1A1 (0.71) RAB9ANPC1ALDH1A1PKMKMT2A
SCHEMBL4979227 0.80 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1PKMKMT2A

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
CN-111479869-B Rubber composition and rubber crosslinked product 日本瑞翁株式会社 2022-06-14 — — CN disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 — — US disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 — — EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 — — EP disclosed
US-8735432-B2 N-(Heteroaryl)-1-heteroarylalky1-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 — — US disclosed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 — — US disclosed
US-8318775-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-27 — — US disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 — — US disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 — — US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 — — US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 — — US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — US disclosed
US-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 — — US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 — — 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 (6 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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD RAB9A 3684/4885NPC1 4476/4885ALDH1A1 1108/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 RAB9A 2875/4885NPC1 2959/4885ALDH1A1 945/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 RAB9A 2875/4885NPC1 2959/4885ALDH1A1 945/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 RAB9A 975/4885NPC1 1354/4885ALDH1A1 2072/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 RAB9A 2875/4885NPC1 2959/4885ALDH1A1 945/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 RAB9A 2329/4885NPC1 230/4885ALDH1A1 862/4885

“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.