SCHEMBL18177310

SCHEMBL18177310

Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
MAPK8 P45983 2/20 0.61
AIP O00170 1/20 0.54
SGTA O43765 1/20 0.54
TOMM70 O94826 1/20 0.54
STIP1 P31948 1/20 0.54
PPP5C P53041 1/20 0.54
FKBP4 Q02790 1/20 0.54
PPID Q08752 1/20 0.54
FKBP5 Q13451 1/20 0.54
FKBP8 Q14318 1/20 0.54
TOMM34 Q15785 1/20 0.54
DNAJC7 Q99615 1/20 0.54
AIPL1 Q9NZN9 1/20 0.54
STUB1 Q9UNE7 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 7/20 0.51
HPGD P15428 3/20 0.51

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
SCHEMBL18180597 0.85 L3MBTL1 (0.66) MAPTKMT2AMEN1MAPK8AIP
SCHEMBL3914715 0.79 FLT3 (0.74) MAPTKMT2AMEN1MAPK8L3MBTL1
SCHEMBL5453629 0.75 PDE4B (0.65) MAPTKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5449182 0.74 PDE4B (0.64) MAPTKMT2AMEN1MAPK8AIP
SCHEMBL28818013 0.71 ALDH1A1 (0.76) MAPTKMT2AMEN1AIPSGTA
SCHEMBL31060214 0.70 MAPK8 (1.00) MAPTKMT2AMEN1MAPK8AIP
SCHEMBL2494960 0.69 KMT2A (0.59) MAPTKMT2AMEN1MAPK8L3MBTL1
SCHEMBL990297 0.69 ALDH1A1 (0.60) MAPTKMT2AMEN1MAPK8L3MBTL1
SCHEMBL8104093 0.68 KMT2A (0.49) MAPTKMT2AMEN1MAPK8L3MBTL1
SCHEMBL4733997 0.68 KMT2A (1.00) MAPTKMT2AMEN1L3MBTL1ALDH1A1

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
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD MAPT 2722/4885KMT2A 1415/4885MEN1 2328/4885

“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.