SCHEMBL1312932

SCHEMBL1312932

CCCCc1ccc(-c2nc(-c3ccc(CN)cc3)no2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.75
NPC1 O15118 2/20 0.75
ALDH1A1 P00352 2/20 0.75
MAPT P10636 2/20 0.75
RAB9A P51151 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NFKB1 P19838 1/20 0.75
NFKB2 Q00653 1/20 0.75
RELA Q04206 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
S1PR5 Q9H228 3/20 0.57
S1PR4 O95977 2/20 0.57
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
SPHK1 Q9NYA1 12/20 0.52
SPHK2 Q9NRA0 11/20 0.52
S1PR3 Q99500 1/20 0.47

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
SCHEMBL1312371 0.91 S1PR1 (0.62) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL19968731 0.86 S1PR1 (0.75) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13416798 0.86 NPC1 (1.00) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL26887351 0.85 S1PR1 (0.56) S1PR1NPC1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL26691045 0.84 S1PR1 (0.55) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4742220 0.82 S1PR1 (0.70) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13417167 0.81 NPC1 (0.90) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL28239842 0.80 NR1H4 (0.70) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL28863179 0.80 NR1H4 (0.65) S1PR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL1312871 0.80 SPHK1 (0.62) S1PR1NPC1ALDH1A1MAPTRAB9A

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 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 (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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 S1PR1 3/4885NPC1 137/4885ALDH1A1 1495/4885

“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.