SCHEMBL1005495

SCHEMBL1005495

c1ccc(-c2ccc(C[C@@H]3CNCCN3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.51
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GBA1 P04062 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL3495180 0.90 POLB (0.58) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL17415 0.90 POLB (0.58) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL16738 0.90 POLB (0.58) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL29119634 0.88 POLB (0.56) LTA4HPOLBHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL12078757 0.88 POLB (0.56) LTA4HPOLBHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL12078541 0.88 POLB (0.56) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL8904123 0.88 POLB (0.56) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL8201261 0.88 POLB (0.56) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL30589117 0.88 POLB (0.56) LTA4HPOLBHRH3MEN1KMT2A
SCHEMBL5504868 0.79 HRH3 (0.49) LTA4HPOLBHRH3SLC6A2SLC6A4

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
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
EP-1844032-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-07-13 EP disclosed
US-20110086864-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-7868009-B2 N-hydroxyamide derivatives and use thereof Merck Serono, S.A. (CH) 2011-01-11 US disclosed
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof LABORATOIRES SERONO S.A. (CH) 2008-04-17 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 (3 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-20110086864-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD LTA4H 63/4885POLB 2290/4885HRH3 18/4885
US-20080090838-A1 N-Hydroxyamide Derivatives and Use Thereof HNMT, ALOX5, HCAR2 LTA4H 50/4885POLB 2530/4885HRH3 29/4885
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD LTA4H 63/4885POLB 2290/4885HRH3 18/4885

“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.