SCHEMBL6300666

SCHEMBL6300666

COc1cc(C=O)c(-c2cc([N+](=O)[O-])ccc2Oc2ccc3cc(C#N)ccc3c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 2/20 0.41
TLR9 Q9NR96 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAD51 Q06609 1/20 0.39
CYP19A1 P11511 1/20 0.38
PTGS2 P35354 1/20 0.38
PYGL P06737 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ESRRA P11474 2/20 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
SCHEMBL6300791 0.88 MAPT (0.40) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6296041 0.85 ALDH1A1 (0.43) ALDH1A1MAPTLMNAKDM4ERAD51
SCHEMBL6300708 0.82 MAPT (0.36) ALDH1A1MAPTLMNASMN1; SMN2TLR9
SCHEMBL6294962 0.80 PYGL (0.40) ALDH1A1MAPTLMNASMN1; SMN2AR
SCHEMBL6300671 0.80 PYGL (0.38) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL8486260 0.79 BRD4 (0.43) ALDH1A1MAPTLMNASMN1; SMN2AR
SCHEMBL6294697 0.78 LMNA (0.52) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL6300744 0.74 EPAS1 (0.44) ALDH1A1MAPTLMNAKDM4ERAD51
SCHEMBL6300657 0.74 PYGL (0.52) SMN1; SMN2KDM4EPYGLMERTK
SCHEMBL6294722 0.72 PYGL (0.42) ALDH1A1MAPTLMNASMN1; SMN2RAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 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 (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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 ALDH1A1 1785/4885MAPT 4849/4885LMNA 1305/4885

“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.