SCHEMBL7037583

SCHEMBL7037583

CCOc1ccc(NNc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 11/20 0.61
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL2911535 0.87 MAPT (0.58) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL28810314 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MAPTRAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL3419672 0.81 MAPT (0.60) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL7037581 0.81 MAPT (0.68) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL11842385 0.79 RAB9A (0.57) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL11838962 0.79 MAPT (0.60) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL11295618 0.79 MAPT (0.68) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL430629 0.79 MAPT (0.59) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL20984284 0.78 RAB9A (0.60) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL4233854 0.78 HCAR3 (0.60) SMN1; SMN2MAPTRAB9ANPC1KMT2A

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-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 SMN1; SMN2 3328/4885MAPT 3505/4885RAB9A 4357/4885

“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.