SCHEMBL10050586

SCHEMBL10050586

Cc1c(/C=N/Oc2ccc(F)c(F)c2)c2cc(O)ccc2n1Cc1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
MAPT P10636 8/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 6/20 0.35
KDM4E B2RXH2 4/20 0.35
PKM P14618 4/20 0.33
GAA P10253 2/20 0.33
KLF5 Q13887 1/20 0.33
NOD1 Q9Y239 1/20 0.33
BMP1 P13497 1/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8233771 0.81 MAPT (0.33) ALDH1A1MAPTKDM4EPKMGAA
SCHEMBL337122 0.76 LMNA (0.42) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL10103684 0.70 S1PR3 (0.59) ALDH1A1MAPTLMNAKDM4EPKM
SCHEMBL291284 0.68 GAA (0.55) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL805699 0.66 MEN1 (0.45) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL10103999 0.65 MAPT (0.54) ALDH1A1MAPTRAB9ANPC1L3MBTL1
SCHEMBL10103704 0.65 MEN1 (0.48) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL805673 0.64 MAPT (0.53) ALDH1A1MAPTL3MBTL1LMNAKDM4E
SCHEMBL10103998 0.64 MEN1 (0.49) ALDH1A1MAPTRAB9AL3MBTL1LMNA
SCHEMBL10103712 0.62 MEN1 (0.52) ALDH1A1MAPTRAB9ANPC1L3MBTL1

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-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 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-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 ALDH1A1 2262/4885MAPT 4413/4885RAB9A 1831/4885

“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.