SCHEMBL860576

SCHEMBL860576

O=[N+]([O-])c1c(/C=C/N2CCCC2)cccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
HPD P32754 6/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8026962 1.00 MEN1 (0.47) MEN1KMT2APOLBHPDCCNB2
SCHEMBL5319025 0.86 KMT2A (0.44) MEN1KMT2APOLBHPDMAPT
SCHEMBL877419 0.82 MAPT (0.40) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL6191797 0.81 POLB (0.55) MEN1KMT2APOLBMAPTNPC1
SCHEMBL6191804 0.81 POLB (0.55) MEN1KMT2APOLBMAPTNPC1
SCHEMBL8009754 0.81 POLB (0.55) MEN1KMT2APOLBMAPTNPC1
SCHEMBL8009758 0.81 POLB (0.55) MEN1KMT2APOLBMAPTNPC1
SCHEMBL8026956 0.81 POLB (0.49) MEN1KMT2APOLBMAPTNPC1
SCHEMBL23748560 0.81 CCNB2 (0.52) MEN1KMT2APOLBHPDCCNB2
SCHEMBL3611368 0.81 POLB (0.49) MEN1KMT2APOLBHPDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-4810699-A Substituted 1,3,4,9-tetrahydropyrano[3,4,-b]indole-1-acetic acids, pharmaceutical compositions containing them, and methods for treating inflammatory conditions and for analgesic purposes using them AMERICAN HOME PRODUCTS CORPORATION (US) 1989-03-07 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 (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-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD MEN1 4033/4885KMT2A 4809/4885POLB 1941/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD MEN1 4033/4885KMT2A 4809/4885POLB 1941/4885

“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.