SCHEMBL3562923

SCHEMBL3562923

Cc1cc(C2CCCCN2CCN(CC2=COCO2)Cc2ccccc2)nc(-n2ccnc2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.58
NOS1 P29475 5/20 0.58
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL3569388 0.98 NOS2 (0.60) NOS2NOS1TSHRLMNAUSP2
Hydrochloric Acid SCHEMBL3571851 0.97 NOS2 (0.60) NOS2NOS1TSHRLMNAUSP2
SCHEMBL3568635 0.81 NOS2 (0.43) NOS2NOS1
SCHEMBL13037190 0.76 NOS2 (0.95) NOS2NOS1
SCHEMBL3562921 0.76 NOS2 (0.76) NOS2NOS1
SCHEMBL3561935 0.75 NOS2 (0.51) NOS2NOS1
SCHEMBL4886654 0.73 NOS2 (1.00) NOS2NOS1
SCHEMBL5340893 0.73 NOS2 (0.48) NOS2NOS1TSHR
SCHEMBL3569385 0.73 NOS2 (0.80) NOS2NOS1
Hydrochloric Acid SCHEMBL4895312 0.73 NOS2 (0.98) NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885TSHR 788/4885

“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.