SCHEMBL5144014

SCHEMBL5144014

CC(=O)N1c2ccc([N+](=O)[O-])cc2CCC1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
TNF P01375 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HTT P42858 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7416582 0.86 KDM4E (0.67) KDM4EMAPTTNFNOD2NOD1
SCHEMBL26079007 0.79 NOTUM (0.59) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL16590074 0.79 NOTUM (0.59) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL5798736 0.78 MAPT (0.67) KDM4EMAPTTNFNOD2NOD1
SCHEMBL16585967 0.78 LMNA (0.52) TNFNOD2NOD1MEN1KMT2A
SCHEMBL615623 0.78 NOTUM (0.61) MAPTSIRT2HTTNPC1LMNA
SCHEMBL17018033 0.78 PDK1 (0.64) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL30366579 0.78 PDK1 (0.64) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL26079771 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL16586031 0.78 PDK1 (0.64) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods ZHI LIN 2006-06-15 US disclosed
US-7026484-B2 For therapy of cancer LIGAND PHARMACEUTICALS INCORPORATED (US) 2006-04-11 US disclosed
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 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 (3 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-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA KDM4E 1001/4885MAPT 3934/4885TNF 4814/4885
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA KDM4E 1001/4885MAPT 3934/4885TNF 4814/4885
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA KDM4E 1001/4885MAPT 3934/4885TNF 4814/4885

“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.