SCHEMBL73742

SCHEMBL73742

Nc1nc2ccc(CCC(=O)O)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2D6 P10635 2/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3CA P42336 1/20 0.48
PI4KA P42356 1/20 0.48

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
SCHEMBL7892444 0.92 RAB9A (0.56) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
Succinic Acid SCHEMBL27996326 0.87 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL73741 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3592885 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL73636 0.83 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7340444 0.82 HDAC6 (0.51) RAB9ANPC1HDAC6KMT2AHSD17B10
SCHEMBL2707387 0.82 LDHA (0.60) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL9722768 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL111593 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7340358 0.79 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTGAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORP (US) 2017-12-07 US 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-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
EP-2001892-B1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES AMBIT BIOSCIENCES CORP (US) 2013-04-24 EP disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2010-11-25 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
CN-101448843-A Imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCES CORP (US) 2009-06-03 CN disclosed
EP-2001892-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE Ambit Biosciences Corporation (US) 2008-12-17 EP disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
WO-2007109120-A2 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION (US) 2007-09-27 WO disclosed
EP-0781280-B1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON SPA (IT) 2002-11-06 EP disclosed
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
EP-0781280-A1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008489-A1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 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 (6 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-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 RAB9A 2687/4885NPC1 1112/4885SMN1; SMN2 1354/4885
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 RAB9A 3357/4885NPC1 1204/4885SMN1; SMN2 1288/4885
US-20170348320-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 RAB9A 2687/4885NPC1 1112/4885SMN1; SMN2 1354/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK RAB9A 3007/4885NPC1 3817/4885SMN1; SMN2 3321/4885

“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.