SCHEMBL9949897

SCHEMBL9949897

Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc3[nH]c(=O)cc(Cl)c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.46
MAPT P10636 2/20 0.44
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
GUSB P08236 1/20 0.40
ELANE P08246 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 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
SCHEMBL4146511 0.82 LMNA (0.44) PGRMEN1KMT2ASMN1; SMN2
SCHEMBL4148107 0.81 HPGD (0.47) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4146476 0.80 CSNK1D (0.41) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL4144971 0.78 MEN1 (0.42) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9949807 0.77 MAPK14 (0.55) MAPTDRD2HTR2AHTR2CMEN1
SCHEMBL4143949 0.77 LMNA (0.46) MAPTMEN1KMT2ANPC1GSK3A
SCHEMBL4137113 0.75 AR (0.60) PGRMAPTMMP2MMP9MMP8
SCHEMBL4145440 0.75 TNKS2 (0.47) MAPT
SCHEMBL4140138 0.75 KIF11 (0.44) MAPTMEN1KMT2AGSK3AGSK3B
SCHEMBL4144687 0.73 AR (0.46) MAPTDRD2HTR2AHTR2CGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 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-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA PGR 43/4885MAPT 4308/4885MMP2 2743/4885

“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.