SCHEMBL12027415

SCHEMBL12027415

CCCCN(CC)c1cc(C)nc(Nc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
CRHR1 P34998 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL12046687 0.81 CRHR1 (0.41) LMNACRHR1ALDH1A1
SCHEMBL5844440 0.77 CRHR1 (0.43) MAPTCYP3A4MAPK1CRHR1
SCHEMBL12027414 0.72 MEN1 (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11365693 0.67 PPIA (0.37) MAPTL3MBTL1TDP1GAAKMT2A
SCHEMBL11363707 0.67 GAA (0.40) MAPTLMNATDP1GAAHTT
SCHEMBL13329903 0.67 TAAR1 (0.63) MAPTLMNATDP1GAAKMT2A
SCHEMBL27690591 0.67 MAPT (0.48) MAPTCYP3A4LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL11262372 0.66 MAPT (0.40) MAPTLMNATDP1GAAHTT
Hydrochloric Acid SCHEMBL11369618 0.66 PPIA (0.36) MAPTL3MBTL1TDP1GAAKMT2A
SCHEMBL5842958 0.66 CRHR1 (0.50) TDP1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2011-12-15 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 (3 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-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 MAPT 2625/4885CYP1A2 2127/4885CYP3A4 2207/4885
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 MAPT 2261/4885CYP1A2 2813/4885CYP3A4 2668/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 MAPT 2625/4885CYP1A2 2127/4885CYP3A4 2207/4885

“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.