SCHEMBL5457556

SCHEMBL5457556

CN(C)c1ccc(Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 2/20 0.62
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 4/20 0.53
P4HTM Q9NXG6 2/20 0.51
KCNK3 O14649 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
NR4A1 P22736 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL13402039 0.89 NPC1 (0.62) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL33368 0.88 NPC1 (0.77) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL28360958 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL1982376 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
Ethane SCHEMBL3767932 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL2271443 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
Ammonia Solution, Strong SCHEMBL28138417 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL1552312 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL10626135 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL5306452 0.86 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 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-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA NPC1 955/4885MEN1 2829/4885KMT2A 3012/4885

“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.