SCHEMBL4400612

SCHEMBL4400612

CC(C)(C)OC(=O)NCCCCNC(=S)Nc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.55
ALOX12 P18054 3/20 0.55
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 4/20 0.53
QPCT Q16769 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.47
ACHE P22303 1/20 0.47
PKM P14618 2/20 0.46
NPC1 O15118 3/20 0.46
ANPEP P15144 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4398713 0.98 POLB (0.58) POLBALDH1A1ALOX12KDM4ERAB9A
SCHEMBL6957779 0.85 STK17B (0.49) ALOX12SMN1; SMN2HTTCYP3A4TDP1
SCHEMBL13592325 0.85 POLB (0.52) POLBALDH1A1ALOX12KDM4ERAB9A
SCHEMBL29263638 0.84 TDP1 (0.51) ALOX12SMN1; SMN2HTTNPSR1CYP3A4
SCHEMBL6300342 0.83 STK17B (0.52) ALOX12KDM4ESMN1; SMN2HTTCYP3A4
SCHEMBL3146288 0.81 GAA (0.54) POLBALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4396662 0.81 KMT2A (0.54) POLBALDH1A1ALOX12RAB9ASMN1; SMN2
SCHEMBL5739547 0.81 ALDH1A1 (0.66) POLBALDH1A1ALOX12KDM4ERAB9A
SCHEMBL1258720 0.80 ALDH1A1 (0.53) POLBALDH1A1RAB9ASMN1; SMN2HTT
SCHEMBL4399373 0.80 RAB9A (0.54) ALDH1A1RAB9ASMN1; SMN2LMNAPKM

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 7 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
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 POLB 2950/4885ALDH1A1 3257/4885ALOX12 237/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 POLB 2695/4885ALDH1A1 3404/4885ALOX12 215/4885

“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.