SCHEMBL3501600

SCHEMBL3501600

Cc1cc(NC(=O)CBr)nn1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
POLQ O75417 1/20 0.34
ABL1 P00519 1/20 0.33
PTGER1 P34995 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KLK7 P49862 1/20 0.33

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
SCHEMBL3501652 0.87 ALDH1A1 (0.40) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL3498760 0.85 CYP4F2 (0.42) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL3500980 0.74 ALDH1A1 (0.49) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL22449667 0.74 CYP4F2 (0.44) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL14726450 0.73 GAA (0.47) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL3903187 0.73 RXRA (0.38) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL29250241 0.73 CYP4F2 (0.44) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL14637642 0.73 CYP4F2 (0.47) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL29250235 0.73 CYP4F2 (0.44) ALDH1A1LMNACYP4F2CYP4A11RXRA
SCHEMBL28948170 0.73 TTBK1 (0.39) CYP4F2CYP4A11RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
US-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 ALDH1A1 1974/4885LMNA 591/4885CYP4F2 1426/4885

“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.