SCHEMBL3440705

SCHEMBL3440705

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.34
KMT2A Q03164 5/20 0.34
HTT P42858 5/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 3/20 0.34
P2RX3 P56373 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MRGPRX1 Q96LB2 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
SCHEMBL1705573 0.86 KMT2A (0.37) TEAD4KMT2AHTTMEN1LMNA
SCHEMBL1706898 0.73 KDM4E (0.41) TEAD4KMT2AHTTMEN1LMNA
SCHEMBL4108323 0.71 KDM4E (0.36) TEAD4KMT2AHTTMEN1LMNA
SCHEMBL1706093 0.71 CNR1 (0.41) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL1705570 0.70 RAB9A (0.46) HTTLMNAALDH1A1MAPTPOLB
SCHEMBL21273606 0.63 TEAD4 (0.56) TEAD4KMT2AHTTMEN1ALDH1A1
SCHEMBL21273605 0.63 TEAD4 (0.56) TEAD4KMT2AHTTMEN1ALDH1A1
SCHEMBL14416599 0.62 MEN1 (0.43) TEAD4KMT2AHTTMEN1LMNA
Hydrochloric Acid SCHEMBL21273613 0.61 ALDH1A1 (0.57) TEAD4KMT2AHTTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL21273612 0.61 ALDH1A1 (0.57) TEAD4KMT2AHTTMEN1ALDH1A1

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
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 TEAD4 3254/4885KMT2A 4149/4885HTT 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.