SCHEMBL7040334

SCHEMBL7040334

Nc1ccc(C(=O)NCc2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.58
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
MMP12 P39900 2/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
GALR3 O60755 1/20 0.50
NR2F2 P24468 1/20 0.50

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
SCHEMBL2201215 0.80 HDAC1 (0.85) ESRRGEPHX2NR1H4MMP12HDAC1
SCHEMBL7038371 0.79 CASP3 (0.59) ESRRGEPHX2NR1H4MMP12HDAC1
SCHEMBL6676799 0.78 HDAC1 (0.50) EPHX2NR1H4HDAC1HDAC3HDAC4
SCHEMBL12057090 0.75 ESRRG (0.65) ESRRGHDAC1ALDH1A1NPC1RAB9A
SCHEMBL20764216 0.75 ESRRG (0.69) ESRRGHDAC1HDAC3HDAC4HDAC6
SCHEMBL4981515 0.75 EPHX2 (0.77) EPHX2NR1H4HDAC1HDAC3HDAC4
SCHEMBL25046069 0.74 HDAC6 (0.64) ESRRGHDAC1HDAC3HDAC4HDAC6
SCHEMBL20764022 0.73 ESRRG (1.00) ESRRGHDAC1HDAC3HDAC4HDAC6
SCHEMBL31687485 0.73 ACKR3 (0.67) ESRRGHDAC1ALDH1A1NPC1RAB9A
SCHEMBL8245493 0.73 LMNA (0.64) EPHX2NR1H4MMP12HDAC1HDAC3

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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 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 (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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN ESRRG 1964/4885EPHX2 2438/4885NR1H4 35/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 ESRRG 3641/4885EPHX2 663/4885NR1H4 104/4885

“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.