SCHEMBL10182159

SCHEMBL10182159

COc1cc(P2(=O)CCC(NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
CFTR P13569 1/20 0.36
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 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
SCHEMBL10182161 0.83 CFTR (0.40) DRD2KMT2AKDM1AMAOBKDM4D
SCHEMBL517443 0.79 ALDH1A1 (0.58) DRD2ALDH1A1LMNAMAPTKDM4D
SCHEMBL517496 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL517902 0.77 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2MEN1MAPT
SCHEMBL30184525 0.75 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL518051 0.75 LMNA (0.43) DRD2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL11916217 0.74 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MEN1MAPT
SCHEMBL30184632 0.73 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL22233801 0.73 ALDH1A1 (0.48) DRD2ALDH1A1LMNAMEN1MAPT
SCHEMBL30184550 0.72 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTKMT2A

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-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 DRD2 4684/4885ALDH1A1 214/4885LMNA 1889/4885

“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.