SCHEMBL5875679

SCHEMBL5875679

CC(NCc1ccccc1)c1cnc(N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CASR P41180 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39

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
SCHEMBL5875607 0.86 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2ALDH1A1CCNT1CDK1
SCHEMBL5875673 0.81 PSEN1 (0.47) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL5875551 0.75 PSEN1 (0.40) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL5875833 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875580 0.74 NOS1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875770 0.72 ALDH1A1 (0.48) POLBSIGMAR1SMN1; SMN2CASRALDH1A1
SCHEMBL5133792 0.72 SMN1; SMN2 (0.49) POLBSIGMAR1SMN1; SMN2CASRMEN1
SCHEMBL5875542 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2893627 0.71 SMN1; SMN2 (0.60) POLBSIGMAR1SMN1; SMN2CASRALDH1A1
SCHEMBL6680353 0.71 POLB (0.47) POLBSIGMAR1SMN1; SMN2CASRALDH1A1

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 POLB 4524/4885PSEN1 5/4885PSEN2 7/4885

“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.