SCHEMBL176999

SCHEMBL176999

COc1ccc(CC(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
POLB P06746 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL5222629 0.84 MEN1 (0.48) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL4476516 0.83 MAPT (0.57) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL22897915 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL3823448 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL28712089 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL28952886 0.80 MEN1 (0.54) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL12090353 0.80 TSHR (0.55) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL5219494 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL177095 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1MEN1KMT2ARAB9A
SCHEMBL257715 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257940-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2020-12-30 WO 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
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
WO-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
WO-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 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 (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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 ALDH1A1 286/4885MAPK1 719/4885MEN1 4329/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ALDH1A1 131/4885MAPK1 514/4885MEN1 2751/4885

“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.