SCHEMBL5998632

SCHEMBL5998632

NCCc1ccc(Cl)cc1Oc1ccc2[nH]ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.51
ROCK1 Q13464 5/20 0.41
ROCK2 O75116 5/20 0.41
DYRK1A Q13627 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC7 O00311 1/20 0.40
KCNH2 Q12809 7/20 0.39
HTR2A P28223 7/20 0.39
SLC6A4 P31645 6/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL5998624 0.82 HTR2A (0.62) NOS1KCNH2HTR2ASLC6A4
SCHEMBL5999729 0.81 AHR (0.49) KCNH2HTR2ASLC6A4TRPM8
SCHEMBL6000189 0.74 HTR2A (0.40) KCNH2HTR2ASLC6A4
SCHEMBL8325177 0.74 ROCK1 (0.58) NOS1ROCK1ROCK2KDM4EMEN1
SCHEMBL5999978 0.73 HTR2A (0.53) KDM4EMAPTTDP1KCNH2HTR2A
SCHEMBL14738564 0.72 NOS1 (0.60) NOS1ROCK1ROCK2DYRK1AKDM4E
SCHEMBL6000147 0.72 HTR2A (0.43) MAPTKCNH2HTR2ASLC6A4
SCHEMBL5497556 0.72 HTR2A (0.41) ROCK1ROCK2KDM4EMEN1ALDH1A1
SCHEMBL5999972 0.71 HTR2A (0.39) KCNH2HTR2ASLC6A4
SCHEMBL2876364 0.71 ROCK1 (0.58) NOS1ROCK1ROCK2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B NOS1 2821/4885ROCK1 4622/4885ROCK2 4016/4885

“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.