SCHEMBL13838435

SCHEMBL13838435

O=C(Nc1ccc(/C(=N/O)C2CC2)cn1)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
HCRTR1 O43613 2/20 0.43
HCAR3 P49019 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
ABL1 P00519 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL13838445 0.85 KMT2A (0.51) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL15793418 0.82 NPC1 (0.40) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL13838582 0.82 NPC1 (0.40) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL15793419 0.82 NPC1 (0.40) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL15793321 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AHCAR3
SCHEMBL13728275 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AHCAR3
SCHEMBL15793319 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AHCAR3
SCHEMBL13640665 0.77 MEN1 (0.56) MEN1KMT2ANPC1RAB9AHCAR3
SCHEMBL7924572 0.77 MEN1 (0.52) MEN1KMT2ANPC1RAB9AHCAR3
SCHEMBL7929734 0.75 MEN1 (0.54) MEN1KMT2ANPC1RAB9AHCAR3

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-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 US disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 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 (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-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 MEN1 4034/4885KMT2A 4123/4885NPC1 206/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 MEN1 4034/4885KMT2A 4123/4885NPC1 206/4885

“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.