SCHEMBL3636236

SCHEMBL3636236

N=C(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
NISCH Q9Y2I1 2/20 0.33
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
HTT P42858 1/20 0.32
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
FDPS P14324 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL10834562 0.80
SCHEMBL4797286 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1970915 0.77
SCHEMBL6208018 0.75
SCHEMBL34650 0.75
SCHEMBL31088200 0.75 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1765877 0.74
SCHEMBL18190 0.74 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2004766 0.74 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL947710 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751096-A2 GUANIDINYL-SUBSTITUTED POLYAMIDES USEFUL FOR TREATING HUMAN PAPILLOMA VIRUS Nanovir, LLC (US) 2014-07-09 EP disclosed
WO-2013055825-A2 GUANIDINYL-SUBSTITUTED POLYAMIDES USEFUL FOR TREATING HUMAN PAPILLOMA VIRUS NANOVIR, LLC (US) 2013-04-18 WO disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP disclosed
EP-2035418-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 EP disclosed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 NPC1 46/4885RAB9A 1601/4885SMN1; SMN2 3696/4885

“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.