SCHEMBL650898

SCHEMBL650898

O=CN(c1ncc(/C=C2\S/C(=N\Cc3cccc(C(F)(F)F)c3)NC2=O)s1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
CDC25B P30305 1/20 0.43
CNR1 P21554 1/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
PIM1 P11309 4/20 0.38
GSK3B P49841 5/20 0.38
ALOX12 P18054 1/20 0.38
PARP1 P09874 1/20 0.37
CISD1 Q9NZ45 2/20 0.37
TTR P02766 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
DYRK1A Q13627 1/20 0.36
RXRA P19793 1/20 0.34

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
SCHEMBL648661 0.88 HPGD (0.53) PTPN1CDC25BHPGDPOLBPKM
SCHEMBL652694 0.86 GSK3B (0.47) PTPN1CDC25BHPGDPOLBPKM
SCHEMBL10176413 0.80 PTPN1 (0.44) PTPN1CDC25BCNR1HPGDPOLB
SCHEMBL653362 0.71 MAPT (0.45) CDC25BHPGDPOLB
SCHEMBL648825 0.69 DYRK3 (0.36) CNR1HPGDPOLBPIM1PIM2
SCHEMBL650134 0.69 AKR1B1 (0.39) HPGDPOLBPIM1PIM2DYRK1A
SCHEMBL651355 0.67 PTPN1 (0.46) PTPN1CDC25BHPGDPOLBPKM
SCHEMBL650769 0.67 MAPT (0.39) HPGDPOLB
SCHEMBL651474 0.67 NOS3 (0.35) CDC25BCNR1POLB
SCHEMBL651037 0.66 NOS3 (0.36) CNR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US disclosed
EP-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 US disclosed
EP-0864568-B1 Agents for treatment of cardiac diseases KUREHA CHEMICAL IND CO LTD (JP) 2003-04-16 EP disclosed
US-6242445-B1 CURATIVE EFFECTS FOR CARDIAC AND NEPHRIC DISEASES, ALTHOUGH HAVING LITTLE ACTION ON BLOOD-PRESSURE. KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-06-05 US disclosed
US-6211175-B1 P-AMINOMETHYLBENZOIC ACID DERIVATIVES; CARDIOVASCULAR DISORDERS; NONHYPOTENSIVE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-04-03 US disclosed
EP-1069113-A1 BENZIMIDAZOLE DERIVATIVE Kureha Chemical Industry Co., Ltd. (JP) 2001-01-17 EP disclosed
EP-0807628-B1 Aromatic compound and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2000-12-20 EP disclosed
US-5932575-A Cardiac diseases improving agents KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1999-08-03 US disclosed
US-5863913-A ALLEVIATION OF RENAL DYSFUNCTION WITHOUT AFFECTING BLOOD PRESSURE AT A LOW BLOOD CONCENTRATION. KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1999-01-26 US disclosed
EP-0864568-A1 Agents for treatment of cardiac diseases KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-16 EP disclosed
EP-0807628-A1 Aromatic compound and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-11-19 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 (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-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 PTPN1 1863/4885CDC25B 59/4885CNR1 4723/4885
US-20120135989-A1 AZAINDOLE DERIVATIVE CDC7, CDCA2, CDC5L PTPN1 2296/4885CDC25B 22/4885CNR1 4113/4885

“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.