SCHEMBL4193510

SCHEMBL4193510

Cc1ccc2c(CCNC3CCc4cc(C(=O)Nc5ccccc5N)ccc43)c[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
SIRT1 Q96EB6 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PTGS2 P35354 4/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC3 O15379 4/20 0.40
NCOR1 O75376 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PTGS1 P23219 3/20 0.39
HTR2A P28223 1/20 0.39
HDAC4 P56524 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
SCHEMBL4178795 0.91 HDAC1 (0.55) HDAC1NPC1RAB9APTGS2HDAC2
SCHEMBL4183434 0.91 HDAC1 (0.47) HDAC1SIRT1NPC1RAB9AATM
SCHEMBL4183216 0.91 HDAC1 (0.46) HDAC1SIRT1NPC1RAB9ATRPV1
SCHEMBL4183294 0.90 ACHE (0.48) HDAC1NPC1RAB9ATRPV1HDAC2
SCHEMBL4187107 0.85 TRPV1 (0.50) HDAC1TRPV1PTGS2HDAC2HDAC3
SCHEMBL4180696 0.84 MEN1 (0.48) HDAC1SIRT1NPC1RAB9APTGS2
SCHEMBL4186899 0.82 HDAC1 (0.56) HDAC1NPC1RAB9APTGS2HDAC2
SCHEMBL4192122 0.82 HDAC1 (0.47) HDAC1SIRT1NPC1RAB9ATRPV1
SCHEMBL4192751 0.82 MEN1 (0.52) HDAC1NPC1RAB9ATRPV1HDAC2
SCHEMBL13653096 0.81 MEN1 (0.43) HDAC1SIRT1NPC1RAB9AATM

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-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US disclosed
US-20090247590-A1 Indane amides BAYER PHARMACEUTICLAS CORPORATION (US) 2009-10-01 US 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-20090247590-A1 Indane amides MKI67, PPIP5K2, CCNA1 HDAC1 579/4885SIRT1 416/4885NPC1 429/4885

“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.