SCHEMBL3551407

SCHEMBL3551407

O=C(Nc1ccc(C2=C(Cc3ccccn3)CCNC2)cc1)c1ccncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
CRACR2A Q9BSW2 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TRPC1 P48995 1/20 0.37
TRPC3 Q13507 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
AURKA O14965 3/20 0.35
GRM5 P41594 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
AURKB Q96GD4 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3554294 0.79 STIM1 (0.49) STIM1ORAI1HTTHPGDNPC1
SCHEMBL984423 0.78 STIM1 (0.55) STIM1ORAI1HTTHPGDNPC1
SCHEMBL986197 0.71 TYK2 (0.42) STIM1ORAI1NPC1GAARAB9A
SCHEMBL3561694 0.70 JAK2 (0.41) HTTNPC1RAB9AAURKAAURKB
SCHEMBL8234740 0.69 STIM1 (0.48) STIM1ORAI1HTTHPGDNPC1
SCHEMBL13119203 0.69 CRACR2A (0.46) STIM1ORAI1HTTHPGDNPC1
SCHEMBL615223 0.69 KDM4E (0.43) STIM1ORAI1HTTGAACRACR2A
SCHEMBL28072916 0.69 HTT (0.67) STIM1ORAI1HTTHPGDNPC1
SCHEMBL985021 0.69 STIM1 (0.53) STIM1ORAI1HTTHPGDNPC1
SCHEMBL14117304 0.66 STIM1 (0.48) STIM1ORAI1HTTHPGDNPC1

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-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 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-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 STIM1 1396/4885ORAI1 1537/4885HTT 4397/4885

“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.