SCHEMBL1661512

SCHEMBL1661512

C=C(c1ccccc1)c1ccc2nc(C(=O)OCC)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.40
CDC7 O00311 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 0.38
CSNK1D P48730 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL1661555 0.79 CA2 (0.38) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1662327 0.77 NPC1 (0.40) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1661700 0.75 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL30807050 0.75 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL1661513 0.74 GRM4 (0.46) MAPTRAB9ANPC1SMN1; SMN2CDC7
SCHEMBL16264455 0.72 CYP2C9 (0.58) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL7564273 0.72 ALDH1A1 (0.47) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL19899702 0.72 ALDH1A1 (0.39) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL211598 0.70 ALDH1A1 (0.69) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL8781186 0.70 CYP1A2 (0.51) MAPTRAB9ANPC1SMN1; SMN2CYP1A2

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-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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 (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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 MAPT 3970/4885RAB9A 1996/4885NPC1 332/4885

“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.