SCHEMBL7604969

SCHEMBL7604969

O=C(Nc1ccccc1)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.77
CHRNB4 P30926 1/20 0.77
CHRNA3 P32297 1/20 0.77
CHRNA4 P43681 1/20 0.77
HTT P42858 2/20 0.70
ALDH1A1 P00352 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
GAA P10253 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TP53 P04637 1/20 0.62
NR1H4 Q96RI1 1/20 0.60
PARP1 P09874 1/20 0.59
KCNK3 O14649 3/20 0.58
KCNK9 Q9NPC2 3/20 0.58
POLB P06746 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX12 P18054 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 2/20 0.57

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
SCHEMBL7048961 0.91 CHRNB2 (0.71) CHRNB2CHRNB4CHRNA3CHRNA4HTT
Hydrochloric Acid SCHEMBL7611573 0.90 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL21446827 0.89 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7611559 0.89 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL1017796 0.87 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7605815 0.87 APOB (0.63) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7607114 0.87 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7611716 0.87 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL7606412 0.87 L3MBTL1 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4HTT
Hydrochloric Acid SCHEMBL29598779 0.86 CHRNB2 (0.96) CHRNB2CHRNB4CHRNA3CHRNA4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 CHRNB2 4877/4885CHRNB4 4881/4885CHRNA3 4861/4885

“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.