SCHEMBL2071235

SCHEMBL2071235

Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HTT P42858 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HPGD P15428 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX12 P18054 1/20 0.60
CYP2C19 P33261 1/20 0.60
MAPT P10636 6/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 2/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55

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
SCHEMBL6571239 0.86 PDK1 (0.70) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL4608458 0.86 PDK1 (0.70) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL11358347 0.85 CXCR1 (0.58) ALDH1A1HTTMEN1KMT2AHPGD
SCHEMBL10420241 0.84 MAPT (0.57) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL3271853 0.84 ALDH1A1 (0.68) ALDH1A1HTTMEN1KMT2AHPGD
SCHEMBL4490833 0.84 ALDH1A1 (0.68) ALDH1A1HTTMEN1KMT2AHPGD
SCHEMBL30168131 0.83 HTT (0.74) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL1285405 0.83 HTT (0.74) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL31261387 0.82 MAPT (0.59) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL4966134 0.82 ALDH1A1 (0.56) ALDH1A1HTTMEN1KMT2AHPGD

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-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
US-20030229072-A1 Cyclic and acyclic amidines and pharmaceutical compositions containing them for use as progesterone receptor binning agents BULLOCK WILLIAM H (US) 2003-12-11 US disclosed
EP-1317456-A2 CYCLIC AND ACYCLIC AMIDINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2003-06-11 EP disclosed
WO-2002020526-A2 CYCLIC AND ACYCLIC AMIDINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2002-03-14 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 (2 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 ALDH1A1 112/4885HTT 3204/4885MEN1 1715/4885
US-20030229072-A1 Cyclic and acyclic amidines and pharmaceutical compositions containing them for use as progesterone receptor binning agents PGR, PGRMC1, PGRMC2 ALDH1A1 4704/4885HTT 4428/4885MEN1 1821/4885

“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.