SCHEMBL1705573

SCHEMBL1705573

CCc1c(Oc2ccc(C)cc2)nc(C)nc1C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 4/20 0.34
LMNA P02545 2/20 0.34
P2RX3 P56373 1/20 0.34
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 2/20 0.31
RXRA P19793 1/20 0.31
NR4A2 P43354 1/20 0.31
TEAD4 Q15561 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GCGR P47871 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL3440705 0.86 TEAD4 (0.34) KMT2AMEN1HTTLMNAP2RX3
SCHEMBL1706898 0.73 KDM4E (0.41) KMT2AMEN1HTTLMNARAB9A
SCHEMBL1705570 0.73 RAB9A (0.46) HTTLMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL4120589 0.71 KDM4E (0.38) KMT2AMEN1HTTLMNARAB9A
SCHEMBL1706093 0.71 CNR1 (0.41) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10695265 0.64 TEAD4 (0.52) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL9923547 0.63 TEAD4 (0.50) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL14416599 0.62 MEN1 (0.43) KMT2AMEN1HTTLMNARAB9A
SCHEMBL17488850 0.60 ALDH1A1 (0.52) KMT2AMEN1HTTRAB9AALDH1A1
SCHEMBL10694603 0.60 TEAD4 (0.47) KMT2AMEN1HTTALDH1A1SMN1; 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 5 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

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 KMT2A 4149/4885MEN1 1832/4885HTT 3729/4885

“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.