SCHEMBL22407043

SCHEMBL22407043

CC(=O)c1ccc(Oc2ccc3ncccc3c2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SCN9A Q15858 1/20 0.49
DOT1L Q8TEK3 2/20 0.47
MET P08581 3/20 0.46
KDR P35968 3/20 0.46
SRC P12931 2/20 0.46
AXL P30530 2/20 0.46
KIT P10721 1/20 0.46
FGFR2 P21802 1/20 0.46
FLT3 P36888 1/20 0.46
MST1R Q04912 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 2/20 0.45
PPARG P37231 1/20 0.44
PLK1 P53350 1/20 0.43
ALOX5 P09917 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL28387697 0.85 ALDH1A1 (0.51) ALDH1A1SCN9ADOT1LMETKDR
SCHEMBL22407065 0.82 PARG (0.51) SCN9ANPC1RAB9AHTTMEN1
SCHEMBL17164822 0.78 NPC1 (0.61) ALDH1A1METKDRSRCAXL
SCHEMBL20558423 0.76 ALDH1A1 (0.61) ALDH1A1SCN9AKDRAXLNPC1
SCHEMBL22406996 0.76 HSP90AA1 (0.53) ALDH1A1SCN9ARAB9ACYP3A4MEN1
SCHEMBL3161907 0.75 ALDH1A1 (0.71) ALDH1A1DOT1LMETSRCNPC1
SCHEMBL29351910 0.74 MAOA (0.50) ALDH1A1KDRRAB9ACYP3A4MAPT
SCHEMBL4117335 0.74 MAOA (0.50) ALDH1A1KDRRAB9ACYP3A4MAPT
SCHEMBL22406846 0.74 MAOB (0.50) NPC1RAB9AABL1MAPTKMT2A
Hydrochloric Acid SCHEMBL27728003 0.74 ALDH1A1 (0.69) ALDH1A1DOT1LMETSRCNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
US-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material KUREHA CORPORATION (JP) 2021-03-16 US disclosed
EP-3712135-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE Kureha Corporation (JP) 2020-09-23 EP disclosed
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL KUREHA CORPORATION (JP) 2020-09-17 US disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 CN 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-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material NOS2, NOS1, CYP51A1 ALDH1A1 1485/4885SCN9A 254/4885DOT1L 526/4885
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL NOS2, NOS1, CYP51A1 ALDH1A1 1485/4885SCN9A 254/4885DOT1L 526/4885

“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.