SCHEMBL6558577

SCHEMBL6558577

Cc1cc(C(=O)CBr)on1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.60
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 5/20 0.44
USP2 O75604 1/20 0.43
CHRNA4 P43681 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.39
VHL P40337 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL10072233 0.84 HCAR2 (0.64) HCAR2POLBNPC1RAB9AKMT2A
SCHEMBL6074169 0.78 CHRNA4 (0.43) HCAR2POLBRAB9ACHRNA4SMN1; SMN2
SCHEMBL10518950 0.77 GSK3B (0.38) HCAR2POLBKMT2AALDH1A1MEN1
SCHEMBL8126016 0.77 CHRNA4 (0.46) HCAR2POLBKMT2ACHRNA4ALDH1A1
SCHEMBL1535177 0.76 MAPT (0.49) POLBNPC1RAB9AKMT2AALDH1A1
SCHEMBL222184 0.75
SCHEMBL1613078 0.75
SCHEMBL10518042 0.74 GSK3B (0.34) HCAR2POLBCHRNA4ALDH1A1L3MBTL1
SCHEMBL353474 0.74
SCHEMBL1797269 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed
US-5705515-A HAVING REDUCED SIDE EFFECTS MERCK & CO., INC. (US) 1998-01-06 US disclosed
EP-0191045-B1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.p.A. (IT) 1989-12-20 EP disclosed
EP-0190298-B1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF ZAMBON S.p.A. (IT) 1989-10-18 EP disclosed
US-4766137-A 4-(isoxazolyl)-thiazole-2-oxamic acids and derivatives thereof ZAMBON S.P.A. (IT) 1988-08-23 US disclosed
US-4766138-A Use of 4-(isoxazolyl)-thiazole-2-oxamic acid derivatives ZAMBON S.P.A. (IT) 1988-08-23 US disclosed
EP-0191045-A1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES. ZAMBON SPA (IT) 1986-08-20 EP disclosed
EP-0190298-A1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF. ZAMBON SPA (IT) 1986-08-13 EP disclosed
WO-1986000899-A1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.P.A. (IT) 1986-02-13 WO disclosed
WO-1986000900-A1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF ZAMBON, S.P.A. (IT) 1986-02-13 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 (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-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 HCAR2 853/4885POLB 4081/4885NPC1 796/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 HCAR2 853/4885POLB 4081/4885NPC1 796/4885

“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.