SCHEMBL1108437

SCHEMBL1108437

COC(=O)CCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
TRPV1 Q8NER1 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
MAOB P27338 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
AGTR1 P30556 1/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAOA P21397 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL9695872 0.94 KMT2A (0.57) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL10936594 0.91 MEN1 (0.63) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL6989418 0.88 MAPT (0.54) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL12473704 0.84 KMT2A (0.58) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL1350599 0.84 MAPT (0.55) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL1538733 0.84 KMT2A (0.61) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL9680338 0.83 KMT2A (0.53) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL7733258 0.82 KMT2A (0.56) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL7734347 0.82 TSHR (0.57) KMT2AMEN1RAB9ANPC1TRPV1
SCHEMBL520733 0.82 MEN1 (0.58) KMT2AMEN1RAB9AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 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 (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-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES BMP2, BMP1, MYOF KMT2A 4620/4885MEN1 1437/4885RAB9A 2740/4885

“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.