SCHEMBL1662327

SCHEMBL1662327

C=C(c1ccccc1)c1ccc2nc(C)sc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ADORA2A P29274 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
ESR1 P03372 1/20 0.32
MAPT P10636 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32

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 0.76 CA2 (0.38) NPC1RAB9ASMN1; SMN2KMT2ATRPV3
SCHEMBL25804777 0.72 LDHA (0.43) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL18644560 0.72 LDHA (0.36) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL25805372 0.69 RAB9A (0.49) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL28605670 0.68 CNR2 (0.62) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL3160366 0.68 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL805088 0.67 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2KMT2AHTT
Hydrochloric Acid SCHEMBL29733282 0.65 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL1662329 0.65 KDM4E (0.50) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL17253548 0.64 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2KMT2AHTT

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 NPC1 332/4885RAB9A 1996/4885SMN1; SMN2 2922/4885

“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.