SCHEMBL394890

SCHEMBL394890

O=C(O)c1c(C(F)(F)F)nc2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.50
PDE10A Q9Y233 4/20 0.50
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 1/20 0.41
PKM P14618 1/20 0.41
KHK P50053 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
Hydrochloric Acid SCHEMBL11375365 0.98 DHODH (0.49) DHODHPDE10AALDH1A1GAALMNA
SCHEMBL11375363 0.89 GAA (0.46) DHODHPDE10AALDH1A1GAALMNA
SCHEMBL11201745 0.88 GRM2 (0.42) DHODHPDE10AALDH1A1GAALMNA
SCHEMBL14471222 0.88 ALDH1A1 (0.42) DHODHPDE10AALDH1A1GAALMNA
SCHEMBL11132628 0.82 DHODH (0.49) DHODHALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL11373332 0.81 DHODH (0.48) DHODHALDH1A1KDM4EMEN1KMT2A
SCHEMBL399026 0.81 SMN1; SMN2 (0.52) ALDH1A1GAALMNANPC1POLB
SCHEMBL12693813 0.79 ERN1 (0.53) ALDH1A1GAALMNANPC1POLB
SCHEMBL11384113 0.79 NR1H2 (0.39) DHODHPDE10AALDH1A1KDM4EMEN1
SCHEMBL6784213 0.79 IGF1R (0.41) DHODHPDE10AALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116991036-A Fluorine-silicon modified polyurethane photoresist and preparation method thereof 常州大学 2023-11-03 CN claimed
CN-116991036-A Fluorine-silicon modified polyurethane photoresist and preparation method thereof 常州大学 2023-11-03 CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
CN-107501099-A The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
EP-0049555-B1 2-TRIFLUOROMETHYL-4-HYDROXY-3 QUINOLINE-CARBOXYLIC-ACID DERIVATIVES AND THEIR PREPARATION ROUSSEL-UCLAF (FR) 1984-02-22 EP disclosed
EP-0049555-A1 2-Trifluoromethyl-4-hydroxy-3 quinoline-carboxylic-acid derivatives and their preparation ROUSSEL-UCLAF (FR) 1982-04-14 EP disclosed
EP-0049555-A1 2-Trifluoromethyl-4-hydroxy-3 quinoline-carboxylic-acid derivatives and their preparation ROUSSEL-UCLAF (FR) 1982-04-14 EP disclosed
US-4299831-A 2-Trifluoromethyl-3-quinoline carboxamides, analgesic and anti-inflammatory compositions and methods employing them ROUSSEL UCLAF (FR) 1981-11-10 US disclosed
EP-0012639-A2 Quinolein-3-carboxylic acid derivatives, process for their preparation, their use in medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1980-06-25 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DHODH 2093/4885PDE10A 1704/4885ALDH1A1 2165/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DHODH 2093/4885PDE10A 1704/4885ALDH1A1 2165/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 DHODH 2931/4885PDE10A 917/4885ALDH1A1 2221/4885

“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.