SCHEMBL2950858

SCHEMBL2950858

CCN1CCC(Oc2ccc([N+](=O)[O-])c(C)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
PARP1 P09874 2/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL10426659 0.84 MAOA (0.55) LMNAPARP1KDM4EMEN1KMT2A
SCHEMBL25725414 0.84 LMNA (0.58) LMNAPARP1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10426266 0.83 MAOA (0.54) LMNAPARP1KDM4EMEN1KMT2A
SCHEMBL4348693 0.81 HRH3 (0.50) PARP1KDM4EKMT2AHTTSMN1; SMN2
SCHEMBL30072756 0.80 MAPT (0.48) LMNAKDM4EMEN1KMT2AHTT
SCHEMBL18956979 0.80 MAPT (0.48) LMNAKDM4EMEN1KMT2AHTT
SCHEMBL2955314 0.79 HRH3 (0.47) PARP1ESR1HRH3
SCHEMBL2949607 0.79 MEN1 (0.56) LMNAKDM4EMEN1KMT2AHTT
SCHEMBL3981552 0.78 LMNA (0.47) LMNAKDM4EMEN1KMT2AHTT
SCHEMBL21617077 0.78 NPC1 (0.51) LMNAKDM4EMEN1KMT2AHTT

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 LMNA 2130/4885PARP1 474/4885KDM4E 3146/4885

“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.