SCHEMBL6506946

SCHEMBL6506946

Nc1cc(-c2ccccn2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45

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
SCHEMBL20469169 0.86 KDM4E (0.50) KDM4ERAB9AALDH1A1NPC1MAPK1
SCHEMBL29739308 0.86 KDM4E (0.50) KDM4ERAB9AALDH1A1NPC1MAPK1
SCHEMBL160064 0.83 KDM4E (0.67) KDM4ERAB9ATP53ALDH1A1NPC1
SCHEMBL11341702 0.83 PI4KA (0.53) KDM4ERAB9ATP53ALDH1A1NPC1
SCHEMBL29901515 0.79 RAB9A (0.50) KDM4ERAB9ATP53ALDH1A1NPC1
SCHEMBL27642885 0.79 RAB9A (0.50) KDM4ERAB9ATP53ALDH1A1NPC1
SCHEMBL28129410 0.79 KDM4E (0.50) KDM4ERAB9ATP53ALDH1A1NPC1
SCHEMBL30117410 0.79 RAB9A (0.56) KDM4ERAB9AALDH1A1NPC1MAPK1
SCHEMBL6974543 0.79 KDM4E (0.56) KDM4ERAB9ATP53ALDH1A1NPC1
SCHEMBL3027291 0.79 NPC1 (0.50) KDM4ERAB9ATP53ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
WO-2005040152-A1 HETEROYCLYLPHENYL-AND HETEROCYCLYLPYRIDYL-SUBSTITUTED AZOLECARBOXAMIDES AS HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-05-06 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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG KDM4E 1181/4885RAB9A 4051/4885TP53 3497/4885

“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.