SCHEMBL14260331

SCHEMBL14260331

Cc1cc([N+](=O)[O-])ccc1OCCN(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
CYP19A1 P11511 4/20 0.43
CYP3A4 P08684 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
S1PR4 O95977 2/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL27884430 0.89 CYP19A1 (0.46) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL4200907 0.85 SMN1; SMN2 (0.52) MCHR1ALDH1A1TDP1CYP19A1CYP3A4
SCHEMBL1811361 0.85 CHRNB2 (0.59) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL22381241 0.84 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL6927122 0.83 CYP19A1 (0.48) TDP1TSHRCYP19A1CHRNB2CHRNA4
SCHEMBL3859288 0.82 KCNH2 (0.52) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL6924138 0.80 CYP19A1 (0.43) TDP1TSHRCYP19A1CHRNB2CHRNA4
SCHEMBL12121522 0.79 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL5866590 0.79 ALDH1A1 (0.51) ALDH1A1TDP1TSHRCYP3A4S1PR4
SCHEMBL1646321 0.79 MAPT (0.52) ALDH1A1TDP1TSHRCYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 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-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 MCHR1 4225/4885ALDH1A1 2338/4885TDP1 676/4885

“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.