SCHEMBL5106705

SCHEMBL5106705

O=C(O)Nc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46

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
SCHEMBL265014 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACYP2C9HPGD
Hydrochloric Acid SCHEMBL380091 0.86 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP2C9HPGD
Hydrochloric Acid SCHEMBL5883332 0.86 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP2C9HPGD
SCHEMBL5100118 0.85 MAPT (0.60) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL5099460 0.84 TDP1 (0.57) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL21522574 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL3910619 0.84 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL4654120 0.84 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ACYP2C9
Bromomethane SCHEMBL5883760 0.83 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL5105758 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
EP-2648714-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 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 (2 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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 ALDH1A1 2949/4885LMNA 790/4885MEN1 3980/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885LMNA 4137/4885MEN1 4053/4885

“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.