SCHEMBL4183216

SCHEMBL4183216

Nc1ccccc1NC(=O)c1ccc2c(c1)CCC2NCCc1c[nH]c2cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT1 Q96EB6 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM1A O60341 1/20 0.40
PTGS2 P35354 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR1 O75376 1/20 0.40
HTR1F P30939 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR6 P50406 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
TDO2 P48775 1/20 0.39
HTR2A P28223 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) HDAC1NPC1RAB9APTGS2HDAC3
SCHEMBL4192122 0.91 HDAC1 (0.47) HDAC1ACHENPC1RAB9ASIRT1
SCHEMBL4193510 0.91 HDAC1 (0.46) HDAC1NPC1RAB9ASIRT1PTGS2
SCHEMBL4183294 0.89 ACHE (0.48) HDAC1ACHENPC1RAB9AHDAC3
SCHEMBL4187107 0.84 TRPV1 (0.50) HDAC1ACHEPTGS2HDAC3HDAC2
SCHEMBL4180696 0.82 MEN1 (0.48) HDAC1NPC1RAB9ASIRT1PTGS2
SCHEMBL4186899 0.82 HDAC1 (0.56) HDAC1NPC1RAB9APTGS2HDAC3
SCHEMBL4183434 0.82 HDAC1 (0.47) HDAC1NPC1RAB9ASIRT1PTGS2
SCHEMBL4192751 0.80 MEN1 (0.52) HDAC1ACHENPC1RAB9AHDAC3
SCHEMBL4193441 0.80 HDAC1 (0.48) HDAC1MAPK14KDM1AHDAC3HDAC2

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 579/4885ACHE 3248/4885NPC1 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.