SCHEMBL3177643

SCHEMBL3177643

c1cc(Cn2cnc3ccccc32)cc(Cn2cnc3ccccc32)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.80
CYP11B2 P19099 8/20 0.80
TNF P01375 1/20 0.80
ALDH1A1 P00352 1/20 0.79
HTT P42858 5/20 0.69
LMNA P02545 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.68
MAPK1 P28482 2/20 0.68
TDP1 Q9NUW8 1/20 0.61
IDO1 P14902 5/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL31722842 1.00 CYP11B1 (0.80) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL12531261 0.92 CYP11B1 (0.74) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL230002 0.89 CYP11B1 (1.00) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL31357411 0.89 CYP11B1 (1.00) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL30930526 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL28326064 0.89 CYP11B1 (0.73) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL14817163 0.89 CYP11B1 (1.00) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL2025143 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL28326060 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TNFALDH1A1HTT
SCHEMBL28325028 0.89 CYP11B1 (0.69) CYP11B1CYP11B2TNFALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US claimed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US claimed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP claimed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 WO claimed
US-7655323-B2 That can stabily emit light with various spectra, including high energy blue spectra; tris(1-(2'-(9',9'-dimethyl)fluorenyl)-3-methyl-imidazolin-2-ylidene-C,C3') iridium(III); organic light emitting devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-7655322-B2 improved stability and efficiency THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-7655322-B2 improved stability and efficiency THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-7655323-B2 That can stabily emit light with various spectra, including high energy blue spectra; tris(1-(2'-(9',9'-dimethyl)fluorenyl)-3-methyl-imidazolin-2-ylidene-C,C3') iridium(III); organic light emitting devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-7655323-B2 That can stabily emit light with various spectra, including high energy blue spectra; tris(1-(2'-(9',9'-dimethyl)fluorenyl)-3-methyl-imidazolin-2-ylidene-C,C3') iridium(III); organic light emitting devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-7655322-B2 improved stability and efficiency THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-02 US disclosed
US-20050260444-A1 OLEDs utilizing macrocyclic ligand systems SOUTHERN CALIFORNIA, UNIVERSITY OF, THE 2005-11-24 US disclosed
US-20050260445-A1 OLEDs utilizing macrocyclic ligand systems UNIVERSITY OF SOUTHERN CALIFORNIA,THE 2005-11-24 US disclosed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
EP-1091942-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2001-04-18 EP disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 US disclosed
WO-2000001676-A1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH A/S (DK) 2000-01-13 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 (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-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 CYP11B1 384/4885CYP11B2 309/4885TNF 904/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 CYP11B1 384/4885CYP11B2 309/4885TNF 904/4885

“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.