SCHEMBL5458783

SCHEMBL5458783

O=C(O)c1ccc(Nc2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
CAMK2D Q13557 1/20 0.58
AKR1C3 P42330 2/20 0.57
AKR1C2 P52895 2/20 0.57
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CSNK2A2 P19784 4/20 0.51
CSNK2B P67870 4/20 0.51
CSNK2A1 P68400 4/20 0.51
PDE4B Q07343 2/20 0.51
PDE4D Q08499 2/20 0.51
P4HTM Q9NXG6 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
SCHEMBL1514631 0.83 RAB9A (0.79) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13280280 0.83 AKR1C3 (0.65) NPC1RAB9AAKR1C3AKR1C2ADRB1
Acetic Acid SCHEMBL6243148 0.82 MAPT (0.61) NPC1RAB9AAKR1C3AKR1C2MEN1
SCHEMBL14563274 0.82 TRPV1 (0.56) NPC1RAB9AAKR1C3AKR1C2MEN1
SCHEMBL11177087 0.81 TSHR (0.74) NPC1RAB9AAKR1C3AKR1C2MEN1
SCHEMBL30342506 0.81 MEN1 (0.68) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3951892 0.81 MEN1 (0.68) NPC1RAB9AMEN1KMT2AMAPT
4-Phenylamino Benzoic Acid SCHEMBL70190 0.81 MAPK13 (0.72) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9479471 0.81 MAPK13 (0.72) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7869107 0.80 AKR1C3 (0.67) NPC1RAB9ACAMK2DAKR1C3AKR1C2

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-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
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 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-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 NPC1 1832/4885RAB9A 3830/4885CAMK2D 4225/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA NPC1 955/4885RAB9A 2101/4885CAMK2D 2013/4885

“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.