SCHEMBL3098222

SCHEMBL3098222

CC(C)N(Cc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.49
▸ KDM1A O60341 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ MAOA P21397 1/20 0.48
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ MEF2D Q14814 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3094230 0.88 HDAC1 (0.48) HDAC1KDM1AHDAC2MAOACYP3A4
SCHEMBL3104800 0.85 KDM1A (0.51) HDAC1KDM1AHDAC2MAOAHDAC4
SCHEMBL3099070 0.85 HDAC1 (0.52) HDAC1KDM1AHDAC2MAOAHDAC4
SCHEMBL17483898 0.81 HDAC1 (0.67) HDAC1KDM1AHDAC2MAOAHDAC4
SCHEMBL3099615 0.80 HDAC1 (0.49) HDAC1KDM1AHDAC2MAOAHDAC4
SCHEMBL17483901 0.80 HDAC1 (0.57) HDAC1KDM1AHDAC2MAOAHDAC4
SCHEMBL17483899 0.79 HDAC1 (0.55) HDAC1KDM1AHDAC2MAOAHDAC4
SCHEMBL3098218 0.77 HDAC1 (0.47) HDAC1KDM1AHDAC2MAOACYP3A4
SCHEMBL3098228 0.77 HDAC1 (0.47) HDAC1KDM1AHDAC2MAOACYP3A4
SCHEMBL3098448 0.77 HDAC1 (0.44) HDAC1KDM1AHDAC2MAOACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 — — US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 — — 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-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD HDAC1 815/4885KDM1A 4012/4885HDAC2 973/4885

“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.

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