SCHEMBL398461

SCHEMBL398461

Nc1cc(N)c(Cl)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.79
NPC1 O15118 1/20 0.55
CYP3A4 P08684 7/20 0.50
TSHR P16473 6/20 0.50
PTK2 Q05397 1/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
SLC9A1 P19634 1/20 0.43
CD44 P16070 1/20 0.43
CASP6 P55212 1/20 0.39
NR4A2 P43354 1/20 0.39
AHR P35869 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL5492502 1.00 GAA (0.79) GAANPC1CYP3A4TSHRPTK2
SCHEMBL204719 0.89 GAA (0.86) GAANPC1CYP3A4TSHRPTK2
SCHEMBL64092 0.88 GAA (1.00) GAANPC1CYP3A4TSHRPTK2
Hydrochloric Acid SCHEMBL28016984 0.85 GAA (0.92) GAANPC1CYP3A4TSHRPTK2
SCHEMBL26746409 0.79 GAA (0.69) GAANPC1CYP3A4TSHRPTK2
SCHEMBL23716737 0.78 GAA (0.58) GAANPC1CYP3A4TSHRTP53
SCHEMBL6666210 0.78 GAA (0.58) GAANPC1CYP3A4TSHRPTK2
SCHEMBL454590 0.78 TSHR (0.60) GAANPC1CYP3A4TSHRTP53
SCHEMBL23974410 0.78 GAA (0.58) GAANPC1CYP3A4TSHRTP53
SCHEMBL15797869 0.78 GAA (0.58) GAANPC1CYP3A4TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 US disclosed
US-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 US disclosed
US-11161807-B2 Thermo-thickening compounds for non-polar liquid SORBONNE UNIVERSITE (FR) 2021-11-02 US 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
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-4070353-A FOR PLASTICS AND PRINTING INKS, YELLOW TO ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1978-01-24 US disclosed
US-4065449-A Tetrachloro substituted disazo pigments CIBA-GEIGY CORPORATION (US) 1977-12-27 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed
US-4053464-A DISAZO PIGMENTS CONTAINING ETHER SUBSTITUTED ALKOXY CARBONYL GROUPS CIBA-GEIGY CORPORATION (US) 1977-10-11 US disclosed
US-4046755-A CELLULOSE ETHERS, POLYAMIDES, POLYURETHANES, ACRYLICS CIBA-GEIGY CORPORATION (US) 1977-09-06 US disclosed
US-4003886-A Tetracarboxylic acid ester substituted disazo pigments CIBA-GEIGY AG (CH) 1977-01-18 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US disclosed
US-3988312-A TETRAKISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-10-26 US disclosed
US-3978038-A POLYAMIDES, POLYESTERS, POLYURETHANES CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed
US-3956266-A DISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-05-11 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 (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-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GAA 454/4885NPC1 28/4885CYP3A4 1862/4885
US-20230126543-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CYP1A1, AOX1, CRY1 GAA 1515/4885NPC1 2471/4885CYP3A4 26/4885
US-11161807-B2 Thermo-thickening compounds for non-polar liquid PUF60, NONO, MAPT GAA 2507/4885NPC1 2074/4885CYP3A4 652/4885

“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.