SCHEMBL3385658

SCHEMBL3385658

CCc1cccc(N(CC)CC)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.50
SIGMAR1 Q99720 10/20 0.46
CNR2 P34972 1/20 0.46
TERT O14746 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR1 P21453 2/20 0.42
S100B P04271 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8194795 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRCNR2TERT
SCHEMBL28490683 0.87 TSHR (0.72) ALDH1A1CYP3A4TSHRSIGMAR1CNR2
SCHEMBL9446165 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRSIGMAR1THRB
SCHEMBL20171826 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRSIGMAR1S1PR1
SCHEMBL9829524 0.84 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRSIGMAR1CNR2
SCHEMBL1574035 0.84 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRCNR2TERT
SCHEMBL7672423 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRCNR2TERT
SCHEMBL13778840 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRCNR2TERT
SCHEMBL3510031 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRCNR2TERT
SCHEMBL8126760 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRCNR2TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363353-A1 Method for Improving Alkali Resistance and Oxidation Resistance of Benzisothiazole Disperse Dye Penglai Jiaxin Dye Chemical Co., LTD (CN) 2021-11-25 US disclosed
CN-111995879-B Method for enhancing alkali resistance and oxidation resistance of benzisothiazole disperse dye 青岛大学 2021-10-08 CN disclosed
US-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2021-09-14 US disclosed
CN-111995879-A Method for enhancing alkali resistance and oxidation resistance of benzisothiazole disperse dye 青岛大学 2020-11-27 CN disclosed
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LIMITED (SG) 2020-08-27 US disclosed
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS WISTA LABORATORIES LTD. (SG) 2018-03-22 US disclosed
EP-2004155-B1 INHIBITORS OF PROTEIN AGGREGATION WISTA LAB LTD (SG) 2018-02-21 EP disclosed
EP-2004155-B1 INHIBITORS OF PROTEIN AGGREGATION WISTA LAB LTD (SG) 2018-02-21 EP disclosed
EP-2853293-B1 Thioninium compounds and their use WISTA LAB LTD (SG) 2017-11-22 EP disclosed
EP-2853293-B1 Thioninium compounds and their use WISTA LAB LTD (SG) 2017-11-22 EP disclosed
EP-0148009-A2 Process for the alkylation of aromatic amines and use of the products thereof ETHYL CORPORATION (US) 1985-07-10 EP disclosed
US-4494989-A PRESSURE SENSITIVE CARBONLESS DUPLICATING OR THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-01-22 US disclosed
US-4459186-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1984-07-10 US disclosed
EP-0073277-A1 Process for producing orthoalkylated aromatic amines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-03-09 EP disclosed
US-4351958-A Process for producing orthoalkylated aromatic amine MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-09-28 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4251629-A COLORIMETRY, USING 4-AMINOANTIPYRENE, N-SUBSTITUTED ANILINE, ACTIVATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-17 US disclosed
US-4180503-A FOR DYEING POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-12-25 US disclosed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US disclosed
US-4020068-A Chromogenic furoquinoxalines NCR CORPORATION (US) 1977-04-26 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-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds MGMT, MAPT, TST ALDH1A1 3409/4885CYP3A4 3944/4885TSHR 1274/4885
US-20180078562-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST ALDH1A1 3735/4885CYP3A4 3739/4885TSHR 1506/4885
US-20200268767-A1 MEDICAL METHODS UTILISING HIGH PURITY DIAMINOPHENOTHIAZINIUM COMPOUNDS MGMT, MAPT, TST ALDH1A1 3735/4885CYP3A4 3739/4885TSHR 1506/4885

“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.