SCHEMBL5034243

SCHEMBL5034243

NCC(=O)c1sccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
GAA P10253 5/20 0.44
AGTR1 P30556 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44
GSK3B P49841 1/20 0.43
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
OPRM1 P35372 1/20 0.38
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
PTPRC P08575 3/20 0.36
PTPRG P23470 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 SCHEMBL4941652 0.98 MAPT (0.45) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL2096641 0.80 MAPT (0.46) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL10126109 0.80 MAPT (0.50) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL5868892 0.78 GAA (0.46) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL2225907 0.77
SCHEMBL4370162 0.76 ALDH1A1 (0.56) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL18901337 0.76 GAA (0.44) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL17790208 0.76 MAPT (0.50) MAPTALDH1A1KMT2AHTTGAA
Hydrazine SCHEMBL27615552 0.75 MAPT (0.49) MAPTALDH1A1KMT2AHTTGAA
SCHEMBL281979 0.74

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
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
CN-1325052-C Benzothiazole derivatives HOFFMANN LA ROCHE CO LTD (CH) 2007-07-11 CN claimed
CN-1731999-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-02-08 CN claimed
EP-1450796-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-01 EP claimed
WO-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO claimed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-7435750-B2 Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-10-14 US disclosed
US-7435750-B2 Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-10-14 US disclosed
EP-1450796-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
CN-1325052-C Benzothiazole derivatives HOFFMANN LA ROCHE CO LTD (CH) 2007-07-11 CN disclosed
CN-1731999-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-02-08 CN disclosed
EP-1450796-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-01 EP disclosed
US-6596718-B1 A compound of formula I has a good affinity to the A2A receptor and is useful for the treatment of diseases mediated by this receptor. HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
WO-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO 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 (1 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-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 MAPT 3715/4885ALDH1A1 3565/4885KMT2A 2812/4885

“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.