SCHEMBL1706898

SCHEMBL1706898

CCc1c(C=O)nc(C)nc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HTT P42858 5/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TEAD4 Q15561 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1705570 0.74 RAB9A (0.46) HTTLMNAALDH1A1CYP2C9CYP2C19
SCHEMBL3440705 0.73 TEAD4 (0.34) KDM4EHTTLMNAKMT2AMEN1
SCHEMBL1705573 0.73 KMT2A (0.37) KDM4EHTTLMNAKMT2AMEN1
SCHEMBL2276349 0.70 SMN1; SMN2 (0.46) KDM4EHTTLMNAKMT2AMEN1
SCHEMBL14416599 0.69 MEN1 (0.43) KDM4EHTTLMNAKMT2AMEN1
SCHEMBL13990838 0.62 KMT2A (0.74) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL23975504 0.61 CYP2A6 (0.73) KDM4EHTTLMNAKMT2AMEN1
SCHEMBL17488850 0.61 ALDH1A1 (0.52) KDM4EHTTKMT2AMEN1ALDH1A1
SCHEMBL260405 0.61 CYP2A6 (0.73) KDM4EHTTLMNAKMT2AMEN1
SCHEMBL16838778 0.61 KDM4E (0.56) KDM4EHTTLMNAALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB KDM4E 3543/4885HTT 3729/4885LMNA 4851/4885

“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.