SCHEMBL5210885

SCHEMBL5210885

CCC1Nc2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.54
▸ NOS2 P35228 2/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ HTR5A P47898 3/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRM1 P35372 1/20 0.35

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
SCHEMBL19574893 0.78 CYP1A2 (0.60) HTR2ACYP1A2TNKS2PBRM1HSD17B10
SCHEMBL13684801 0.78 CYP1A2 (0.60) HTR2ACYP1A2TNKS2PBRM1HSD17B10
SCHEMBL25559852 0.74 HTR2A (0.47) JAK2HTR2AHSD17B10
SCHEMBL25559875 0.74 KMT2A (0.54) JAK2HTR5ATSHRSMN1; SMN2
SCHEMBL633764 0.73 HTR2A (0.58) NOS2HTR2AACHEBCHEGPR3
SCHEMBL8292984 0.73 IDO1 (0.49) TNKS2PBRM1KDM4EALDH1A1BRD4
Lithium SCHEMBL8587291 0.72 HTR2A (0.56) NOS2HTR2AACHEBCHEGPR3
Potassium SCHEMBL8586916 0.72 HTR2A (0.56) NOS2HTR2AACHEBCHEGPR3
SCHEMBL8586913 0.72 HTR2A (0.56) NOS2HTR2AACHEBCHEGPR3
SCHEMBL8587288 0.72 HTR2A (0.56) NOS2HTR2AACHEBCHEGPR3

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
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 — — EP disclosed
CN-1720231-A Substituted dihydrophenanthridinesulfonamides WYETH CORP (US) 2006-01-11 — — CN disclosed
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 — — EP disclosed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 — — US disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 — — US disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 — — 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-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 JAK2 89/4885NOS2 541/4885HTR2A 4486/4885

“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.

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