SCHEMBL11989271

SCHEMBL11989271

CC(C)CN/C(N)=N/[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
F2 P00734 1/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CTSD P07339 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL14344842 0.78
SCHEMBL21597311 0.78
SCHEMBL14220423 0.74 LMNA (0.39) LMNAMMP1POLBF2SMN1; SMN2
SCHEMBL28377793 0.74 LMNA (0.39) LMNAMMP1POLBF2SMN1; SMN2
SCHEMBL12237928 0.74 NOS1 (0.36) LMNAALDH1A1F2KMT2A
SCHEMBL13084706 0.74 NOS1 (0.36) LMNAALDH1A1F2KMT2A
SCHEMBL11989225 0.73 LMNA (0.34) LMNAF2
SCHEMBL22765153 0.72 NOS1 (0.36) CYP2C19LMNAALDH1A1F2HPGD
SCHEMBL12762227 0.72 GRIN2D (0.52) LMNAMAPTMMP1ALDH1A1ALOX12
SCHEMBL13154173 0.72 GRIN2D (0.52) LMNAMAPTMMP1ALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 CYP2D6 4277/4885CYP2C19 4203/4885LMNA 1700/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 CYP2D6 706/4885CYP2C19 1586/4885LMNA 3464/4885

“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.