SCHEMBL6490849

SCHEMBL6490849

NCC(COc1cc(Cl)ccc1Cl)c1ncco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CTSA P10619 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6497954 0.76 CTSA (0.39) MEN1KMT2ACYP1A2CYP2C19NPC1
SCHEMBL6495511 0.76 CYP1A2 (0.33) CYP1A2CYP2C19CYP2C9CTSA
SCHEMBL6490842 0.76 NOS2 (0.47) NOS2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL6493266 0.74 NOS2 (0.39) NOS2MEN1KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6491809 0.73 NOS2 (0.39) NOS2MEN1KMT2ACYP1A2CYP2C19
Oxalic Acid SCHEMBL6497943 0.71 NOS2 (0.47) NOS2LMNAGAACTSAALDH1A1
SCHEMBL11594971 0.70 KMT2A (0.57) NOS2MEN1KMT2ACYP1A2LMNA
SCHEMBL6495507 0.66 CYP2D6 (0.41) NOS2CTSAHTR2A
SCHEMBL20773660 0.65 KCNA5 (0.42) CTSA
SCHEMBL6501546 0.65 NOS2 (0.61) NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US claimed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP claimed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US claimed
JP-2003523988-A 2003-08-12 JP claimed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP claimed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO claimed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 NOS2 3/4885MEN1 4489/4885KMT2A 3267/4885

“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.