SCHEMBL2939737

SCHEMBL2939737

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
ALDH1A1 P00352 6/20 0.61
HPGD P15428 5/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
TP53 P04637 5/20 0.61
HSD17B10 Q99714 4/20 0.61
NFKB1 P19838 5/20 0.56
NFKB2 Q00653 5/20 0.56
RELA Q04206 5/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ALOX5 P09917 1/20 0.54
MAPT P10636 2/20 0.52
PTGES O14684 1/20 0.52

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
SCHEMBL13240431 0.88 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL14513131 0.82 KDM4E (0.69) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2949797 0.81 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL2245161 0.80 RAB9A (0.66) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL22390145 0.80 NPC1 (0.74) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL14947173 0.79 ALDH1A1 (0.96) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL13265933 0.78 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL10218249 0.78 SMN1; SMN2 (0.82) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3288386 0.77 ALDH1A1 (1.00) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL15047797 0.77 ALDH1A1 (0.93) KDM4ESMN1; SMN2ALDH1A1HPGDNPC1

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 2364/4885SMN1; SMN2 4791/4885ALDH1A1 3602/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 KDM4E 2364/4885SMN1; SMN2 4791/4885ALDH1A1 3602/4885

“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.