SCHEMBL2949797

SCHEMBL2949797

Cc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
POLB P06746 1/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
S1PR1 P21453 16/20 0.61
S1PR3 Q99500 13/20 0.61
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
MAPT P10636 1/20 0.55
GLA P06280 1/20 0.53

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
SCHEMBL2947283 0.83 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL2939737 0.81 KDM4E (0.61) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL27638547 0.81 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL29362501 0.80 SMN1; SMN2 (1.00) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL152658 0.80 SMN1; SMN2 (1.00) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL18470571 0.79 RAB9A (0.65) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22390145 0.77 NPC1 (0.74) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13067695 0.77 SMN1; SMN2 (0.85) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL17988059 0.76 PTPN2 (0.53) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3401206 0.76 RAB9A (0.79) KDM4ENPC1RAB9AHPGDSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1791592-B Immunosuppressant compounds and compositions IRM LLC 2012-07-04 CN disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
CN-1791592-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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 (2 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-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 KDM4E 2364/4885NPC1 2745/4885RAB9A 3413/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 KDM4E 2364/4885NPC1 2745/4885RAB9A 3413/4885

“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.