SCHEMBL1267862

SCHEMBL1267862

S=C(Cl)NN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL11174169 0.80 CA12 (0.67) CA12CA1CA2CA9ALDH1A1
SCHEMBL3077426 0.78 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL3452601 0.76 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL10742919 0.76 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL10742927 0.76 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL3071219 0.76 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL365772 0.76 EPHX2 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL6631354 0.75 HTT (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL6060070 0.74 CA12 (0.95) CA12CA1CA2CA9ALDH1A1
SCHEMBL3772058 0.74 CA12 (0.95) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548121-B1 Physiologically active substances EISAI R&D MAN CO LTD (JP) 2015-04-29 EP disclosed
US-20110136902-A1 12-MEMBERED-RING MACROLACTAM DERIVATIVES MIYANO MASAYUKI 2011-06-09 US disclosed
US-7893068-B2 Macrolide compounds comprising 18,19-epoxytricosa-8,12,14-trien-11-olide derivatives; angiogenesis inhibitors; anticarcinogenic, antimetastasis, antiinflammatory, and antitumor agents; antihypoxic agents; endothelial growth factor suppressors; retinal neovascularization, diabetic retinopathy MERCIAN CORPORATION (JP) 2011-02-22 US disclosed
EP-2266978-A1 Novel physiologically active substances MERCIAN CORPORATION (JP) 2010-12-29 EP disclosed
EP-2145886-A1 TWELVE-MEMBERED CYCLOMACROLACTAM DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-01-20 EP disclosed
US-7619100-B2 Physiologically active substances MERCIAN CORPORATION (JP) 2009-11-17 US disclosed
US-7550503-B2 Physiologically active substances EISAI R& D MANAGEMENT CO., LTD. (JP) 2009-06-23 US disclosed
US-20080312317-A1 12 MEMBERED-RING MACROLACTAM DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-18 US disclosed
US-20080275059-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES KOTAKE YOSHIHIKO 2008-11-06 US disclosed
US-20080255146-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MICROBIOPHARM JAPAN CO., LTD. (JP) 2008-10-16 US disclosed
US-7256178-B2 Physiologically active substances EISAI CO., LTD. (JP) 2007-08-14 US disclosed
US-20060241171-A1 Novel physiologically active substances MICROBIOPHARM JAPAN CO., LTD. (JP) 2006-10-26 US disclosed
US-20060009439-A1 Novel physiologically active substances MERCIAN CORPORATION (JP) 2006-01-12 US disclosed
US-20050245514-A1 Novel physiologically active substances MICROBIOPHARM JAPAN CO., LTD. (JP) 2005-11-03 US disclosed
EP-1548121-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-06-29 EP disclosed
EP-1508570-A1 NOVEL PHYSIOLGICALLY ACTIVE SUBSTANCES MERCIAN CORPORATION (JP) 2005-02-23 EP disclosed
US-4118378-A THIURAM SULFIDES OF OXAZOLIDINES AND THIAZOLIDINES PENNWALT CORPORATION (US) 1978-10-03 US disclosed
US-4099003-A NON-BLOOMING ACCELERATOR AND PROCESS FOR VULCANIZATION OF EPDM ELASTOMERS PENNWALT CORPORATION (US) 1978-07-04 US 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 (7 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-20080312317-A1 12 MEMBERED-RING MACROLACTAM DERIVATIVES HDAC11, HDAC1, HDAC3 CA12 857/4885CA1 2480/4885CA2 3365/4885
US-20050245514-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA CA12 235/4885CA1 174/4885CA2 100/4885
US-20060241171-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA CA12 407/4885CA1 189/4885CA2 112/4885
US-20060009439-A1 Novel physiologically active substances HIF1A, HIF1AN, VEGFA CA12 407/4885CA1 189/4885CA2 112/4885
US-20080275059-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES HIF1A, HIF1AN, VEGFA CA12 407/4885CA1 189/4885CA2 112/4885
US-20110136902-A1 12-MEMBERED-RING MACROLACTAM DERIVATIVES HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC1 CA12 834/4885CA1 2669/4885CA2 3443/4885
US-20080255146-A1 NOVEL PHYSIOLOGICALLY ACTIVE SUBSTANCES HIF1A, HIF1AN, VEGFA CA12 407/4885CA1 189/4885CA2 112/4885

“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.