SCHEMBL5455400

SCHEMBL5455400

O=C(O)Cc1ccc(Nc2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
PDE4B Q07343 3/20 0.56
PDE4D Q08499 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA2 P00918 2/20 0.50
CAMK2A Q9UQM7 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
CTBP2 P56545 1/20 0.49
AKR1B1 P15121 1/20 0.48
FFAR1 O14842 1/20 0.47
HTT P42858 2/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 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
SCHEMBL104746 0.88 CA2 (0.62) GAACA2CAMK2APOLBALDH1A1
Fluoride SCHEMBL11185179 0.86 CA2 (0.60) GAACA2CAMK2APOLBALDH1A1
Hydrochloric Acid SCHEMBL2170212 0.86 CA2 (0.60) GAACA2CAMK2APOLBALDH1A1
Methane SCHEMBL1421956 0.86 CA2 (0.60) GAACA2CAMK2APOLBALDH1A1
SCHEMBL3499679 0.84 FFAR1 (0.69) GAASMN1; SMN2ALDH1A1RAB9AFFAR1
Hydrazine SCHEMBL18601422 0.84 CA2 (0.58) GAACA2CAMK2APOLBALDH1A1
SCHEMBL5459434 0.83 MEN1 (0.52) GAAPDE4BPDE4DMEN1KMT2A
SCHEMBL538299 0.82 LMNA (0.69) GAAPDE4BPDE4DCA2CAMK2A
SCHEMBL3499794 0.81 NR1H4 (0.70) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL5465427 0.81 PDE4B (0.53) GAAPDE4BPDE4DSMN1; SMN2MEN1

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 GAA 4822/4885PDE4B 4247/4885PDE4D 4377/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA GAA 3787/4885PDE4B 2819/4885PDE4D 3117/4885

“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.