SCHEMBL13525847

SCHEMBL13525847

FCc1cc(-c2nc(-c3ccncc3)no2)ccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.67
▸ S1PR3 Q99500 3/20 0.67
▸ NPC1 O15118 10/20 0.62
▸ RAB9A P51151 10/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ MAPT P10636 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ TP53 P04637 2/20 0.56
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL13525831 0.88 S1PR1 (0.68) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13525827 0.85 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13525849 0.84 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13525830 0.82 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13525832 0.81 NPC1 (0.55) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL18542962 0.81 RAB9A (0.61) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13417221 0.80 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL3737008 0.78 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL18542993 0.77 NPC1 (0.65) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13417120 0.77 NPC1 (0.79) S1PR1S1PR3NPC1RAB9ASMN1; 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 S1PR1 1/4885S1PR3 2/4885NPC1 1399/4885

“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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