SCHEMBL6439629

SCHEMBL6439629

CCN(CC)C(=O)c1ccc(-c2ccc(N)c(C#N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
AOC3 Q16853 2/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MLYCD O95822 2/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL6777079 0.89 HPGD (0.54) HPGDALDH1A1MAPTAOC3LMNA
SCHEMBL4023874 0.89 HSP90AA1 (0.49) HPGDALDH1A1MAPTLMNATSHR
SCHEMBL4023818 0.85 ERN1 (0.47) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6440297 0.78 CYP1A2 (0.53) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL5305433 0.78 MYC (0.55)
SCHEMBL5072719 0.73 TDP1 (0.48) HPGDALDH1A1MAPTLMNATSHR
SCHEMBL2952990 0.73 HSP90AA1 (0.57) HPGDALDH1A1MAPTLMNATSHR
SCHEMBL31621299 0.73 HSP90AA1 (0.57) HPGDALDH1A1MAPTLMNATSHR
SCHEMBL3182944 0.73 ALDH1A1 (0.56) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL13974083 0.72 PGR (0.42) HPGDALDH1A1MAPTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1263733-C Substituted phenyl derivatives, their preparation and use NEUROSEARCH AS (DK) 2006-07-12 CN disclosed
EP-1514867-A2 Substituted phenyl derivatives, their preparation and use NeuroSearch A/S (DK) 2005-03-16 EP disclosed
US-6706749-B2 CHLORIDE CHANNEL BLOCKERS; USEFUL IN THE TREATMENT OF SICKLE CELL ANAEMIA, BRAIN EDEMA FOLLOWING ISCAEMIA OR TUMORS, DIARRHEA, HYPERTENSION, BONE METABOLIC DISORDERS, OSTEOCLAST ASSOCIATED DISODERS; SUBSTITUTED BIPHENYL CONTAINING NITROGEN NEUROSEARCH A/S (DK) 2004-03-16 US disclosed
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-20020032210-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 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 (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-20020032210-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNB2, KCNH2 HPGD 1425/4885ALDH1A1 355/4885MAPT 3324/4885
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 HPGD 1665/4885ALDH1A1 459/4885MAPT 3787/4885

“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.