SCHEMBL2014002

SCHEMBL2014002

Cc1cccc(NC(=O)CC(=O)Nc2cccc(C)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 1/20 0.69
HDAC3 O15379 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
NCOR2 Q9Y618 1/20 0.66

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
SCHEMBL4858118 0.91 HSD17B10 (0.68) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL26998805 0.91 CYP1A2 (0.67) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL12285798 0.89 HPGD (0.64) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL2502058 0.89 RAB9A (0.69) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL12327192 0.89 HPGD (0.68) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL29575656 0.89 HPGD (0.68) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL22298827 0.88 HPGD (0.59) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL8277632 0.88 HPGD (0.62) MEN1KMT2AHPGDHSD17B10HDAC3
SCHEMBL11679175 0.88 HSD17B10 (0.64) MEN1KMT2AHPGDHSD17B10HDAC3
Hydrochloric Acid SCHEMBL23721867 0.87 RAB9A (0.67) MEN1KMT2AHPGDHSD17B10HDAC3

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-7964625-B2 Antibiotics comprising bis(1-aryl-5-tetrazoly1)methane derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2011-06-21 US disclosed
EP-1937257-B1 NOVEL ANTIBIOTICS COMPRISING BIS(1-ARYL-5-TETRAZ0LYL)METHANE DERIVATIVES TNO (NL) 2010-12-08 EP disclosed
US-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-11-13 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-20080280964-A1 Novel Antibiotics Comprising Bis(1-Aryl-5-Tetrazolyl)Methane Derivatives LAS1L, AAAS, RPS5 MEN1 1009/4885KMT2A 2575/4885HPGD 4361/4885

“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.