SCHEMBL13525832

SCHEMBL13525832

FCc1cc(-c2nc(-c3ccncc3)no2)ccc1I

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.55
▸ RAB9A P51151 10/20 0.55
▸ TP53 P04637 2/20 0.53
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ S1PR1 P21453 6/20 0.51
▸ S1PR3 Q99500 3/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL18542962 0.84 RAB9A (0.61) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL13525847 0.81 S1PR1 (0.67) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL14330929 0.78 S1PR1 (0.72) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL5959967 0.74 SMN1; SMN2 (0.85) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL14331473 0.73 S1PR1 (0.67) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL13416827 0.71 SMN1; SMN2 (0.79) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL19766696 0.70 S1PR1 (0.78) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL13417238 0.70 NPC1 (0.76) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL18542993 0.69 NPC1 (0.65) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL19766695 0.69 S1PR1 (0.70) NPC1RAB9ATP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — 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-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 NPC1 1399/4885RAB9A 2501/4885TP53 4850/4885

“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.

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