SCHEMBL4771004

SCHEMBL4771004

NC(Cc1ccc(Br)s1)C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
AKR1C3 P42330 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.44
AKT1 P31749 2/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
AKT1S1 Q96B36 1/20 0.43
DPP4 P27487 1/20 0.42

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
SCHEMBL4780021 0.84 MAPT (0.46) SMN1; SMN2KMT2AMEN1TSHRHTT
SCHEMBL4774404 0.81 KDM4E (0.50) HTTMAPTTDP1AKT1AKT2
SCHEMBL4771095 0.81 HDAC8 (0.61) KMT2AMEN1AKT1DPP4
SCHEMBL4794877 0.77 HDAC8 (0.48) KMT2AMEN1TSHRHTTPOLB
SCHEMBL4772362 0.77 DPP9 (0.61) DPP4
SCHEMBL4772360 0.77 DPP9 (0.61) DPP4
SCHEMBL4772342 0.77 POLB (0.62) SMN1; SMN2TSHRHTTGFERMAPT
SCHEMBL4776526 0.77 ALDH1A1 (0.46) KMT2ATSHRCA12CA1CA2
Hydrochloric Acid SCHEMBL6980746 0.76 POLB (0.61) SMN1; SMN2TSHRHTTGFERMAPT
SCHEMBL4773516 0.76 TP53 (0.59) SMN1; SMN2KMT2AMEN1HTTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 SMN1; SMN2 819/4885KMT2A 41/4885MEN1 1807/4885

“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.