SCHEMBL5245124

SCHEMBL5245124

C#Cc1cccc(NCCC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.42
EGFR P00533 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL9775167 0.78 CA12 (0.57) ALDH1A1MAPTKMT2AMEN1CA12
SCHEMBL17818385 0.78 MEN1 (0.71) KMT2AMEN1NPC1RAB9AHDAC3
SCHEMBL15862018 0.74 MEN1 (0.41) MAPTKMT2AMEN1CA12CA1
SCHEMBL14662545 0.73 MTNR1A (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL18707796 0.72 MAPT (0.46) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL1637032 0.71 ATM (0.46) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL6205108 0.70 NPC1 (0.62) ALDH1A1MAPTKMT2AMEN1CA12
SCHEMBL22624793 0.69 KDM4E (0.45) MAPTHDAC3EGFRHDAC4HDAC1
SCHEMBL16236545 0.69 KMT2A (0.67) KMT2AMEN1NPC1RAB9AHDAC3
SCHEMBL17301675 0.68 NPC1 (0.64) MAPTKMT2AMEN1NPC1RAB9A

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
EP-1740556-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2005-10-27 US disclosed
WO-2005097760-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2005-10-20 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-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses HAVCR2, HCCS, AADAC ALDH1A1 549/4885MAPT 4394/4885KMT2A 3996/4885

“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.