SCHEMBL4331082

SCHEMBL4331082

O=Cc1cc(F)c(F)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL29579209 1.00 KIF11 (0.49) KIF11ALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL31611799 0.82 KIF11 (0.47) KIF11ALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL9340546 0.80 KIF11 (0.42) KIF11ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL48658 0.79 CES2 (0.42) KIF11ALDH1A1SMN1; SMN2
SCHEMBL6856881 0.78 KIF11 (0.46) KIF11ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL31173036 0.76 AR (0.39) KIF11
SCHEMBL31128571 0.76 ALDH1A1 (0.46) KIF11ALDH1A1APP
SCHEMBL816357 0.76 KIF11 (0.44) KIF11GRIA1GRIA2GRIA3GRIA4
SCHEMBL26760559 0.76 KIF11 (0.44) KIF11ALDH1A1SMN1; SMN2
SCHEMBL9341639 0.75 KIF11 (0.41) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP claimed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 EP claimed
US-20230416203-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCA3.1, FOR USE AS PLATFORM THERAPEUTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-12-28 US disclosed
EP-4251611-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, Kca3.1, FOR USE AS PLATFORM THERAPEUTICS Nanyang Technological University (SG) 2023-10-04 EP disclosed
CN-116601145-A Potent and selective calcium-activated potassium channel K for plateau treatment Ca 3.1 inhibitors 南洋理工大学 2023-08-15 CN disclosed
WO-2022115043-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCa3.1, FOR USE AS PLATFORM THERAPEUTICS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-06-02 WO disclosed
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 US disclosed
EP-1392219-A4 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-01-24 EP disclosed
US-7074813-B2 Substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-07-11 US disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
US-6716859-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1392219-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-01-16 US disclosed
WO-2002089745-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-14 WO disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO disclosed
EP-0396987-B1 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1994-06-15 EP disclosed
EP-0396987-A2 Nuclear fluorinated trifluoromethylbenzaldehydes BAYER AG (DE) 1990-11-14 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 (3 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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 KIF11 4703/4885ALDH1A1 2306/4885SMN1; SMN2 4107/4885
US-20230416203-A1 POTENT AND SELECTIVE INHIBITORS OF THE CALCIUM-ACTIVATED POTASSIUM CHANNEL, KCA3.1, FOR USE AS PLATFORM THERAPEUTICS KCNN3, KCNN1, KCNN2 KIF11 753/4885ALDH1A1 3090/4885SMN1; SMN2 943/4885
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 KIF11 4771/4885ALDH1A1 140/4885SMN1; SMN2 3303/4885

“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.