SCHEMBL15465601

SCHEMBL15465601

C/C(=N/OCCCc1ccnc(-c2cccc(C)n2)n1)c1cccc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
P2RX7 Q99572 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
PPARA Q07869 2/20 0.31
PPARD Q03181 1/20 0.31
PPARG P37231 1/20 0.30
TBXA2R P21731 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL15465604 1.00 GRM5 (0.34) GRM5HSP90AA1NPC1LMNARAB9A
SCHEMBL5020221 1.00 GRM5 (0.34) GRM5HSP90AA1NPC1LMNARAB9A
SCHEMBL5020377 0.94 HSP90AA1 (0.34) GRM5HSP90AA1NPC1LMNARAB9A
SCHEMBL5020444 0.91 NPC1 (0.36) HSP90AA1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL15470611 0.91 GRM5 (0.34) GRM5PPARAPPARDPPARG
SCHEMBL882881 0.89 CYP4F2 (0.32) GRM5CYP4F2CYP4A11PPARG
SCHEMBL5020347 0.88 TGFBR1 (0.36) HSP90AA1CCR1CCR8DUSP3PTPN11
SCHEMBL5020222 0.88 NPC1 (0.39) GRM5HSP90AA1NPC1LMNARAB9A
SCHEMBL5020366 0.87 CCR1 (0.41) GRM5HSP90AA1NPC1LMNARAB9A
SCHEMBL5020449 0.85 MEN1 (0.37) NPC1LMNARAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 GRM5 1821/4885HSP90AA1 1228/4885NPC1 1923/4885

“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.