SCHEMBL12374007

SCHEMBL12374007

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.40
PPARG P37231 1/20 0.40
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
P2RX3 P56373 10/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARD Q03181 3/20 0.35
CNR1 P21554 2/20 0.35
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL12374000 0.94 HTT (0.39) PPARAHTTNCOA3P2RX3USP2
SCHEMBL12373987 0.90 HTT (0.36) HTTNCOA3P2RX3USP2ALDH1A1
SCHEMBL12373980 0.90 HTT (0.38) PPARAPPARGHTTNCOA3P2RX3
SCHEMBL2279051 0.84 HTT (0.41) HTTNCOA3P2RX3USP2ALDH1A1
SCHEMBL12373975 0.80 HTT (0.42) HTTNCOA3P2RX3USP2ALDH1A1
SCHEMBL2281618 0.80 LTA4H (0.39) P2RX3ALDH1A1CYP2C9
SCHEMBL12374039 0.78 HTT (0.40) HTTNCOA3P2RX3USP2ALDH1A1
SCHEMBL12374038 0.78 SLC2A1 (0.41) S1PR1HTTNCOA3P2RX3USP2
SCHEMBL12373821 0.77 S1PR1 (0.53) S1PR1
SCHEMBL12374002 0.76 HTT (0.39) HTTNCOA3P2RX3ALDH1A1CYP1A2

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 PPARA 3236/4885PPARG 3944/4885S1PR1 1/4885

“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.