SCHEMBL6493266

SCHEMBL6493266

NC[C@H](COc1cc(Cl)ccc1Cl)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSA P10619 5/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
FBP1 P09467 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
Hydrochloric Acid SCHEMBL6491809 0.99 NOS2 (0.39) NOS2LMNAALDH1A1TSHRHTT
SCHEMBL6493257 0.76 NOS2 (0.47) NOS2CTSA
SCHEMBL6493267 0.76 NOS2 (0.47) NOS2CTSA
Hydrochloric Acid SCHEMBL6491813 0.75 NOS2 (0.46) NOS2CTSA
Hydrochloric Acid SCHEMBL6491805 0.75 NOS2 (0.46) NOS2CTSA
SCHEMBL6490849 0.74 NOS2 (0.39) NOS2LMNAALDH1A1TSHRHTT
SCHEMBL11594971 0.70 KMT2A (0.57) NOS2LMNAALDH1A1TSHRHTT
SCHEMBL3650594 0.66 CTSA (0.48) LMNATSHRCTSAMEN1KMT2A
SCHEMBL6496091 0.66 CYP2D6 (0.41) NOS2CTSAFBP1USP2MAPT
Hydrochloric Acid SCHEMBL6502132 0.65 CYP2D6 (0.40) NOS2CTSAFBP1USP2MAPT

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 3 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 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

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 3/4885LMNA 1993/4885ALDH1A1 374/4885

“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.