SCHEMBL13838445

SCHEMBL13838445

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
HCRTR1 O43613 2/20 0.46
HCAR3 P49019 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CHRM5 P08912 1/20 0.44
DRD5 P21918 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1E P28566 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 1/20 0.44
OPRK1 P41145 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL13838435 0.85 MEN1 (0.47) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL13640665 0.81 MEN1 (0.56) KMT2AMEN1NPC1RAB9AHCAR3
SCHEMBL7924572 0.81 MEN1 (0.52) KMT2AMEN1NPC1RAB9AHCAR3
SCHEMBL7929734 0.79 MEN1 (0.54) KMT2AMEN1NPC1RAB9AHCAR3
SCHEMBL15793419 0.78 NPC1 (0.40) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL15793418 0.78 NPC1 (0.40) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL13838582 0.78 NPC1 (0.40) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL15793321 0.77 MEN1 (0.48) KMT2AMEN1NPC1RAB9AHCAR3
SCHEMBL13728275 0.77 MEN1 (0.48) KMT2AMEN1NPC1RAB9AHCAR3
SCHEMBL15793319 0.77 MEN1 (0.48) KMT2AMEN1NPC1RAB9AHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 US disclosed
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 (3 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 KMT2A 4123/4885MEN1 4034/4885NPC1 206/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 KMT2A 4123/4885MEN1 4034/4885NPC1 206/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 KMT2A 4123/4885MEN1 4034/4885NPC1 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.