SCHEMBL14079397

SCHEMBL14079397

CCC(C)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
HTT P42858 1/20 0.51
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
CYP19A1 P11511 1/20 0.46
PTGS2 P35354 1/20 0.46
HPGD P15428 3/20 0.45
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL23717434 0.88 LMNA (0.52) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL1148691 0.84 TDP1 (0.54) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL2962266 0.84 SMN1; SMN2 (0.60) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL16956994 0.81 SMN1; SMN2 (0.57) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL6676325 0.81 SMN1; SMN2 (0.57) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL28517356 0.81 TDP1 (0.61) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL17374954 0.80 TDP1 (0.58) SMN1; SMN2LMNATDP1HTTCYP1A2
SCHEMBL8041378 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNATDP1HTTALDH1A1
SCHEMBL10438569 0.80 TDP1 (0.51) LMNATDP1HTTCYP3A4ALDH1A1
SCHEMBL3229107 0.79 THRB (0.52) SMN1; SMN2LMNATDP1CYP1A2CYP3A4

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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
US-7414146-B2 Imaging element containing a blocked photographically useful compound CARESTREAM HEALTH, INC. (US) 2008-08-19 US disclosed
US-7189502-B1 Radiographic materials with antifoggant precursors EASTMAN KODAK COMPANY (US) 2007-03-13 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-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 SMN1; SMN2 2041/4885LMNA 227/4885TDP1 1557/4885

“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.