SCHEMBL10215929

SCHEMBL10215929

Cc1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
RAPGEF4 Q8WZA2 1/20 0.62
RXFP1 Q9HBX9 3/20 0.57
IDH2 P48735 2/20 0.55
YAP1 P46937 1/20 0.55
TEAD4 Q15561 1/20 0.55
TEAD2 Q15562 1/20 0.55
THRB P10828 1/20 0.52
TEAD1 P28347 1/20 0.50
KIF11 P52732 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50

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
SCHEMBL1921484 0.88 MAPT (0.77) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3633066 0.84 RAPGEF4 (0.63) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9429347 0.82 DDX3X (0.56) GAAALDH1A1MAPTRAB9A
SCHEMBL22719490 0.81 MPO (0.60) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7003454 0.81 RAPGEF4 (0.60) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL29504957 0.81 MPO (0.60) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL20693799 0.81 ALDH1A1 (0.69) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL21439856 0.81 MEN1 (0.62) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL11566545 0.81 ALDH1A1 (0.68) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL11114905 0.80 RXFP1 (0.50) GAAALDH1A1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 US disclosed
US-9216224-B2 Fatty acid COX inhibitor derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-12-22 US disclosed
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION KANDULA MAHESH (IN) 2015-05-28 US disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
WO-2014091467-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND INFLAMMATION KANDULA MAHESH (IN) 2014-06-19 WO disclosed
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-7544711-B2 Use of nitroderivatives in urinary incontinence NICOX S.A. (FR) 2009-06-09 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 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 (7 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 GAA 4607/4885ALDH1A1 630/4885MAPT 3101/4885
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 GAA 1867/4885ALDH1A1 676/4885MAPT 1239/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 GAA 4222/4885ALDH1A1 385/4885MAPT 3779/4885
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IAPP, TTR, GPR119 GAA 1643/4885ALDH1A1 950/4885MAPT 265/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 GAA 1/4885ALDH1A1 1139/4885MAPT 3352/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 GAA 4222/4885ALDH1A1 385/4885MAPT 3779/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 GAA 2612/4885ALDH1A1 172/4885MAPT 3503/4885

“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.