SCHEMBL5875604

SCHEMBL5875604

CC(NCCc1ccccc1)c1cnc(C(N)=O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5875673 0.87 PSEN1 (0.47) SMN1; SMN2ALDH1A1CCNT1CDK1CDK4
SCHEMBL5875607 0.82 SIGMAR1 (0.45) PARP1SMN1; SMN2ALDH1A1CCNT1CDK1
SCHEMBL5875576 0.81 PSEN1 (0.35) PARP1SMN1; SMN2ALDH1A1CCNT1CDK1
SCHEMBL5875546 0.81 PSEN1 (0.44) PARP1SMN1; SMN2ALDH1A1CCNT1CDK1
SCHEMBL5875830 0.80 PSEN1 (0.44) SMN1; SMN2ALDH1A1CCNT1CDK1CDK4
SCHEMBL5875677 0.79 PSEN1 (0.46) PARP1SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL5875579 0.78 PARP1 (0.49) PARP1SMN1; SMN2ALDH1A1SIGMAR1KMT2A
SCHEMBL5875670 0.78 CA2 (0.38) ALDH1A1CCNE1CDK2CDK5
SCHEMBL5875539 0.78 PSEN1 (0.46) CCNE1CDK2CDK5
SCHEMBL5875760 0.72 PSEN1 (0.38) PARP1SMN1; SMN2ALDH1A1CCNT1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP PARP1 3837/4885SMN1; SMN2 106/4885ALDH1A1 590/4885

“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.