SCHEMBL73741

SCHEMBL73741

Nc1nc2ccc(CC(=O)O)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
NPC1 O15118 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2D6 P10635 2/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
AXL P30530 1/20 0.50
GFER P55789 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PIK3CA P42336 1/20 0.50

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 SCHEMBL3592885 0.98 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL84833 0.88 KDM4E (0.65) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL73742 0.85 RAB9A (0.59) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
Succinic Acid SCHEMBL27996326 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL20716003 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2491605 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL4695528 0.83 KDM4E (0.51) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL7892444 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2278841 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL20715992 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109011-B Benzothiazole compound, preparation method and application 河北师范大学 2023-12-15 CN disclosed
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US disclosed
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed
EP-1910348-B1 BENZOTHIAZOLE AND AZABENZOTHIAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
US-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2015-05-07 US disclosed
US-8921546-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2014-12-30 US disclosed
US-RE45183-E1 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2014-10-07 US disclosed
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2014-08-28 US disclosed
US-8557810-B2 Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORPORATION (US) 2013-10-15 US disclosed
WO-1999003849-A1 FLUORESCENT DIBENZAZOLE DERIVATIVES AND METHODS RELATED THERETO PROMEGA BIOSCIENCES, INC. (US) 1999-01-28 WO disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
EP-0646112-A4 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS. ABBOTT LAB (US) 1997-04-02 EP disclosed
EP-0646112-A1 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-04-05 EP disclosed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 WO disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP disclosed
EP-0153230-B1 PYRIMIDO(2,1-B)BENZOTHIAZOLE DERIVATIVES AND THEIR SALTS, PROCESS AND PREPARATION INTERMEDIATES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-07-19 EP disclosed
EP-0153230-A2 Pyrimido(2,1-b)benzothiazole derivatives and their salts, process and preparation intermediates, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1985-08-28 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-20150126505-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 RAB9A 2687/4885NPC1 1112/4885SMN1; SMN2 1354/4885
US-20140243525-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 RAB9A 2687/4885NPC1 1112/4885SMN1; SMN2 1354/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 RAB9A 2687/4885NPC1 1112/4885SMN1; SMN2 1354/4885

“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.