SCHEMBL4401084

SCHEMBL4401084

CN(C)CCCn1cc(-c2ccccc2)sc1=Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.39
HTR7 P34969 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SLC22A1 O15245 1/20 0.36
KDM1A O60341 1/20 0.36
PRNP P04156 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB2 P07550 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL4401082 1.00 MAPT (0.48) MAPTGAATP53HTR7HTR2A
SCHEMBL899437 0.75 PDE4D (0.39) MAPTGAATP53PDE3ASMN1; SMN2
SCHEMBL899436 0.75 PDE4D (0.39) MAPTGAATP53PDE3ASMN1; SMN2
SCHEMBL899381 0.70 MAPT (0.41) MAPTGAATP53PDE3ASMN1; SMN2
SCHEMBL899380 0.70 MAPT (0.41) MAPTGAATP53PDE3ASMN1; SMN2
SCHEMBL8829688 0.69 MAPT (0.44) MAPTGAATP53TSHRSMN1; SMN2
SCHEMBL8829692 0.69 MAPT (0.44) MAPTGAATP53TSHRSMN1; SMN2
SCHEMBL899582 0.68 SMN1; SMN2 (0.42) MAPTTP53SMN1; SMN2MAPK1ALDH1A1
SCHEMBL899584 0.68 SMN1; SMN2 (0.42) MAPTTP53SMN1; SMN2MAPK1ALDH1A1
SCHEMBL899306 0.68 MAPT (0.46) MAPTTP53SIGMAR1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300401-B1 THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES DAINIPPON SUMITOMO PHARMA CO (JP) 2009-12-09 EP disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
EP-1669070-A2 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20050222226-A1 Five-membered cyclic compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2005-10-06 US disclosed
US-6919361-B2 Five-membered-ring compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-19 US disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 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 (2 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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 MAPT 4768/4885GAA 4650/4885TP53 4363/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 MAPT 4705/4885GAA 4668/4885TP53 3667/4885

“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.