SCHEMBL1175985

SCHEMBL1175985

N=C(N)NCCCOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
SPHK1 Q9NYA1 2/20 0.44
LMNA P02545 2/20 0.43
EPHX2 P34913 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPOR P19235 2/20 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
Sulfuric Acid SCHEMBL11558166 0.93 EPHX2 (0.44) SMN1; SMN2HTTRAB9ATSHRSPHK1
SCHEMBL11505841 0.90 SMN1; SMN2 (0.55) SMN1; SMN2HTTRAB9ATSHRSPHK1
SCHEMBL24487091 0.86 RAB9A (0.50) SMN1; SMN2RAB9ATSHRLMNAEPHX2
SCHEMBL12012359 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HTTRAB9ATSHRLMNA
SCHEMBL8114563 0.84 EPHX2 (0.44) SMN1; SMN2HTTRAB9ATSHRSPHK1
SCHEMBL5670789 0.83 EPHX2 (0.40) SMN1; SMN2SPHK1EPHX2
Sulfuric Acid SCHEMBL11563680 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HTTTSHRSPHK1LMNA
Hydrochloric Acid SCHEMBL3532520 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HTTRAB9ATSHRSPHK1
SCHEMBL5391087 0.82 TDP1 (0.49) SMN1; SMN2TDP1L3MBTL1KDM4EPOLB
SCHEMBL21533746 0.81 HTT (0.49) SMN1; SMN2HTTTSHRLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015724-A Thienopyrimidines MERCK PATENT GMBH 2011-04-13 CN disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
EP-2260044-A2 THIENOPYRIMIDINES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124653-A2 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2009-10-15 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-20110028472-A1 THIENOPYRIMIDINES TGFBR1, TYMP, TGFBR2 SMN1; SMN2 3514/4885HTT 4492/4885RAB9A 3960/4885

“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.