SCHEMBL2132147

SCHEMBL2132147

Nc1ccc(-c2ccc(N)cc2C(Cl)(Cl)Cl)c(C(Cl)(Cl)Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.60
▸ POLB P06746 3/20 0.60
▸ GAA P10253 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ CYP3A4 P08684 5/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 3/20 0.35
▸ PTPRC P08575 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ NSD2 O96028 1/20 0.35

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
SCHEMBL27656938 0.87 TSHR (0.47) TSHRPOLBGAAGLACYP3A4
SCHEMBL2810913 0.80 TSHR (0.43) TSHRPOLBGAAGLACYP3A4
SCHEMBL27479346 0.78 TSHR (0.61) TSHRPOLBGAAGLACYP3A4
SCHEMBL2813473 0.77 TSHR (0.62) TSHRPOLBGAAGLACYP3A4
SCHEMBL29350569 0.75 TSHR (1.00) TSHRPOLBGAAGLACYP3A4
SCHEMBL2153358 0.75 TSHR (0.60) TSHRPOLBGAAGLACYP3A4
SCHEMBL17451259 0.75 TSHR (1.00) TSHRPOLBGAAGLACYP3A4
SCHEMBL109685 0.75 TSHR (1.00) TSHRPOLBGAAGLACYP3A4
Hydrochloric Acid SCHEMBL8642589 0.73 TSHR (0.95) TSHRPOLBGAAGLACYP3A4
Water SCHEMBL20506731 0.73 TSHR (0.95) TSHRPOLBGAAGLACYP3A4

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
US-10173179-B2 Polymer-ion-permeable membrane, composite-ion-permeable membrane, battery electrolyte membrane, and electrode composite TORAY INDUSTRIES, INC. (JP) 2019-01-08 — — US disclosed
US-10082704-B2 Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element having thereof CHI MEI CORPORATION (TW) 2018-09-25 — — US disclosed
US-20170320021-A1 POLYMER-ION-PERMEABLE MEMBRANE, COMPOSITE-ION-PERMEABLE MEMBRANE, BATTERY ELECTROLYTE MEMBRANE, AND ELECTRODE COMPOSITE TORAY INDUSTRIES, INC. (JP) 2017-11-09 — — US disclosed
EP-3235857-A1 POLYMER-ION-PERMEABLE MEMBRANE, COMPOSITE-ION-PERMEABLE MEMBRANE, BATTERY ELECTROLYTE MEMBRANE, AND ELECTRODE COMPOSITE BODY Toray Industries, Inc. (JP) 2017-10-25 — — EP disclosed
US-9188812-B2 Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element having thereof CHI MEI CORPORATION (TW) 2015-11-17 — — US disclosed
US-9150754-B2 Liquid crystal alignment agent, and liquid crystal alignment film and liquid crystal display element formed from the liquid crystal alignment agent CHI MEI CORPORATION (TW) 2015-10-06 — — US disclosed
US-20150274969-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-10-01 — — US disclosed
US-20150232665-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2015-08-20 — — US disclosed
US-8962739-B2 Liquid crystal alignment agent, and liquid crystal alignment film and liquid crystal display element formed from the liquid crystal alignment agent CHI MEI CORPORATION (TW) 2015-02-24 — — US disclosed
US-20150031829-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2015-01-29 — — US disclosed
US-20140329941-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2014-11-06 — — US disclosed
US-8729178-B2 Polysiloxane-grafted polyimide resin composition and applications thereof CHI MEI CORPORATION (TW) 2014-05-20 — — US disclosed
US-8673177-B2 Liquid crystal alignment agent, and liquid crystal alignment film and liquid crystal display element formed from the liquid crystal alignment agent CHI MEI CORPORATION (TW) 2014-03-18 — — US disclosed
US-20140024752-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2014-01-23 — — US disclosed
US-20130109803-A1 POLYSILOXANE-GRAFTED POLYIMIDE RESIN COMPOSITION AND APPLICATIONS THEREOF CHI MEI CORPORATION (TW) 2013-05-02 — — US disclosed
US-20120289633-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2012-11-15 — — US disclosed
US-20120101224-A1 LIQUID CRYSTAL ALIGNMENT AGENT, AND LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT FORMED FROM THE LIQUID CRYSTAL ALIGNMENT AGENT CHI MEI CORPORATION (TW) 2012-04-26 — — US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 — — US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 — — 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 (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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TSHR 3644/4885POLB 1474/4885GAA 4079/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 TSHR 4692/4885POLB 1371/4885GAA 4412/4885

“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.

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