SCHEMBL1949112

SCHEMBL1949112

Cc1cc(C)nc(NCc2c(C)c(CNc3cc(C)cc(C)n3)c(C)c(CNc3cc(C)cc(C)n3)c2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.53
NOS2 P35228 2/20 0.53
IDH1 O75874 1/20 0.47
MAPK1 P28482 2/20 0.41
LCK P06239 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
NOS1 P29475 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1948938 0.85 NOS3 (0.50) NOS3NOS2IDH1MAPK1LCK
SCHEMBL12549325 0.79 NOS3 (0.43) NOS3NOS2IDH1MAPK1LCK
SCHEMBL8345724 0.78 NOS3 (0.59) NOS3NOS2IDH1MAPK1LCK
SCHEMBL2831934 0.77 NOS2 (0.48) NOS3NOS2IDH1ALDH1A1SMN1; SMN2
SCHEMBL15705802 0.75 KMT2A (0.53) MAPK1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12963699 0.74 NOS3 (0.55) NOS3NOS2IDH1MAPK1LCK
SCHEMBL23482212 0.73 GAA (0.56) NOS3NOS2MAPK1LCKALDH1A1
SCHEMBL12933368 0.73 NOS3 (0.53) NOS3NOS2IDH1MAPK1LCK
SCHEMBL7797450 0.73 NOS3 (0.53) NOS3NOS2IDH1MAPK1LCK
SCHEMBL11454904 0.73 NOS3 (0.53) NOS3NOS2IDH1MAPK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139463-B1 ANTI-INFECTIVE AGENTS TECH UNIVERSITÄT CAROLO WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-08-20 EP disclosed
US-8735416-B2 Antiviral therapies TECHNISCHE UNIVERSITAET CAROLO-WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-05-27 US disclosed
US-20140113923-A1 NOVEL ANTIVIRAL THERAPIES TECHNISCHE UNIVERSITAET CAROLO-WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-04-24 US disclosed
US-8450318-B2 Method to treat infections using anti-infective agents K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2013-05-28 US disclosed
US-8450318-B2 Method to treat infections using anti-infective agents K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2013-05-28 US disclosed
US-20110136840-A1 ANTI-INFECTIVE AGENTS MAZIK, MONIKA (DE) 2011-06-09 US disclosed
US-20110136840-A1 ANTI-INFECTIVE AGENTS MAZIK, MONIKA (DE) 2011-06-09 US disclosed
EP-1972338-A1 Anti-infective agents Technische Universität Carolo-Wilhelmina zu Braunschweig (DE) 2008-09-24 EP 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-20110136840-A1 ANTI-INFECTIVE AGENTS ICAM1, MANBA, ALG1 NOS3 3763/4885NOS2 4099/4885IDH1 4524/4885
US-20140113923-A1 NOVEL ANTIVIRAL THERAPIES HAVCR2, LGALS3BP, LGALS4 NOS3 3892/4885NOS2 4319/4885IDH1 2893/4885

“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.