Aniline

Aniline

SCHEMBL4258946

NOC(=O)C=Cc1ccccc1.Nc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.57
MAPT P10636 7/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PLIN1 O60240 2/20 0.52
RECQL P46063 2/20 0.52
PLIN5 Q00G26 2/20 0.52
ABHD5 Q8WTS1 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TNKS O95271 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL1860801 0.93 MAPT (0.59) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL1860803 0.93 MAPT (0.59) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL5089442 0.81 KMT2A (0.71) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL6912054 0.77 KMT2A (0.66) CYP1B1MAPTLMNAALDH1A1RAB9A
SCHEMBL9102687 0.77 CYP1B1 (0.64) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL21803794 0.77 MAPT (0.64) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL9247555 0.77 MAPT (0.64) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL775716 0.77 MAPT (0.64) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL869265 0.77 MAPT (0.64) CYP1B1MAPTLMNAALDH1A1HDAC3
SCHEMBL869266 0.77 MAPT (0.64) CYP1B1MAPTLMNAALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745022-B1 HISTONE DEACETYLASE INHIBITOR PRODRUGS ATON PHARMA INC (US) 2014-08-13 EP claimed
US-8227636-B2 Histone deacetylase inhibitor prodrugs MERCK HDAC RESEARCH, LLC (US) 2012-07-24 US claimed
EP-1745022-B1 HISTONE DEACETYLASE INHIBITOR PRODRUGS ATON PHARMA INC (US) 2014-08-13 EP disclosed
US-8227636-B2 Histone deacetylase inhibitor prodrugs MERCK HDAC RESEARCH, LLC (US) 2012-07-24 US disclosed
US-20090023786-A1 Histone Deacetylase Inhibitor Prodrugs ALTON PHARMA, INC. (US) 2009-01-22 US disclosed
EP-1745022-A1 HISTONE DEACETYLASE INHIBITOR PRODRUGS Aton Pharma, Inc. (US) 2007-01-24 EP disclosed
WO-2005097747-A1 HISTONE DEACETYLASE INHIBITOR PRODRUGS ATON PHARMA, 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-20090023786-A1 Histone Deacetylase Inhibitor Prodrugs HDAC1, HDAC5, HDAC7 CYP1B1 2753/4885MAPT 1828/4885LMNA 3285/4885

“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.