SCHEMBL4511972

SCHEMBL4511972

CC(C)(C)OC(=O)N(CCc1cccc([N+](=O)[O-])c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NR3C2 P08235 1/20 0.41
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL4535829 0.89 CYP1A2 (0.45) SIGMAR1ALDH1A1KDM4ENR3C2MAPT
SCHEMBL5653544 0.86 KCNH2 (0.45) SIGMAR1ALDH1A1MAPTLMNATSHR
SCHEMBL4535886 0.83 CHRNB2 (0.56) ALDH1A1ALOX5NPC1RAB9AMAOB
SCHEMBL30408958 0.83 SIGMAR1 (0.49) SIGMAR1ALDH1A1NR3C2MAPTALOX5
SCHEMBL4525149 0.82 GRM2 (0.40) SIGMAR1MAOBMAOA
SCHEMBL18041308 0.82 SIGMAR1 (0.46) SIGMAR1ALDH1A1KDM4ENR3C2MAPT
SCHEMBL5388903 0.78 SIGMAR1 (0.55) SIGMAR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4525941 0.78 MEN1 (0.53) ALDH1A1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL1798916 0.78 L3MBTL1 (0.42)
SCHEMBL8217404 0.78 PPARG (0.44) SIGMAR1NPC1RAB9A

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 SIGMAR1 158/4885ALDH1A1 2449/4885KDM4E 2349/4885

“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.