SCHEMBL6448569

SCHEMBL6448569

[CH2]C1Cc2ccccc2C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
PARP1 P09874 3/20 0.44
ACHE P22303 2/20 0.44
PDPK1 O15530 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
TDP2 O95551 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
MAP3K14 Q99558 1/20 0.44
DYRK1A Q13627 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 2/20 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
SCHEMBL30193337 0.77 TSHR (0.62) TSHRCA12CA9PARP1ACHE
SCHEMBL6448571 0.77 TSHR (1.00) TSHRCA12CA9PARP1ACHE
SCHEMBL28846876 0.77 TSHR (0.62) TSHRCA12CA9PARP1ACHE
SCHEMBL12203700 0.77 TSHR (1.00) TSHRCA12CA9PARP1ACHE
SCHEMBL6446220 0.77 TSHR (0.57) TSHRCA12CA9PARP1ACHE
SCHEMBL6446225 0.77 TSHR (0.57) TSHRCA12CA9PARP1ACHE
SCHEMBL29163372 0.75 PARP10 (0.50) TSHRPARP1PARP10PARP11TDP2
SCHEMBL9732498 0.74 TSHR (0.59) TSHRCA12CA9PARP1ACHE
SCHEMBL9732504 0.74 TSHR (0.59) TSHRCA12CA9PARP1ACHE
SCHEMBL7099999 0.73 TSHR (0.57) TSHRCA12CA9PARP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 TSHR 2585/4885CA12 613/4885CA9 273/4885

“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.