SCHEMBL12374000

SCHEMBL12374000

CCn1c(C(N)Cc2ccc(F)cc2)cnc1Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
P2RX3 P56373 5/20 0.36
USP2 O75604 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ACACB O00763 1/20 0.35
BRCA1 P38398 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34

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
SCHEMBL12373987 0.95 HTT (0.36) HTTNCOA3CYP1A2CYP2C19CYP2D6
SCHEMBL12373980 0.95 HTT (0.38) HTTNCOA3CYP1A2CYP2C19CYP2D6
SCHEMBL12374007 0.94 PPARA (0.40) HTTNCOA3CYP1A2P2RX3USP2
SCHEMBL2279051 0.89 HTT (0.41) HTTNCOA3CYP1A2CYP2C19CYP2D6
SCHEMBL12373975 0.85 HTT (0.42) HTTNCOA3CYP1A2CYP2C19CYP2D6
SCHEMBL12374039 0.82 HTT (0.40) HTTNCOA3CYP1A2CYP2C19CYP2D6
SCHEMBL12374038 0.82 SLC2A1 (0.41) HTTNCOA3CYP1A2P2RX3USP2
SCHEMBL12374002 0.81 HTT (0.39) HTTNCOA3CYP1A2CYP2C19CYP2D6
SCHEMBL2278555 0.79 HTT (0.41) HTTNCOA3CYP1A2P2RX3USP2
SCHEMBL27767624 0.77 HTT (0.42) HTTNCOA3P2RX3HPGDACACB

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-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 HTT 4589/4885NCOA3 1611/4885CYP1A2 2848/4885

“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.