SCHEMBL5452217

SCHEMBL5452217

Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL19405909 0.85 GPR35 (0.43) MAPTTSHRHPGDHSD17B10ALDH1A1
SCHEMBL20529256 0.85 ATM (0.44) MAPTRAB9AALDH1A1LMNACYP3A4
SCHEMBL357298 0.84 ALDH1A1 (0.42) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL22128468 0.82 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL8116981 0.82 ALDH1A1 (0.39) MAPTTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL6205875 0.79 RXRA (0.44) MAPTTSHRHPGDNPC1RAB9A
SCHEMBL5913534 0.79 RXRA (0.44) MAPTTSHRHPGDNPC1RAB9A
SCHEMBL20529353 0.79 HCAR3 (0.42) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL28433503 0.79 MAPT (0.50) MAPTTSHRNR3C1PGRAR
SCHEMBL1065744 0.78 MAPT (0.42) MAPTTSHRALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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 (2 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 MAPT 758/4885TSHR 1728/4885NR3C1 1055/4885
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 MAPT 734/4885TSHR 321/4885NR3C1 542/4885

“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.