SCHEMBL5595658

SCHEMBL5595658

N=C(N)Nc1ccc(CNC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PLAU P00749 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
CYP19A1 P11511 1/20 0.44
RAB9A P51151 1/20 0.44

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
Hydrochloric Acid SCHEMBL5595266 0.99 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL4624244 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL7860569 0.83 RAB9A (0.52) ALDH1A1PLAUMAPTDPP8DPP9
SCHEMBL27388024 0.82 IDO1 (0.51) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL6966891 0.81 PLAU (0.59) MEN1KMT2APLAUMAPTSMN1; SMN2
SCHEMBL14524520 0.80 CYP1A2 (0.50) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9878297 0.80 DPP8 (0.47) ALDH1A1PLAUMAPTDPP8DPP9
SCHEMBL11630406 0.80 L3MBTL1 (0.58) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL6053078 0.80 PLAU (0.72) PLAUDPP8DPP9RAB9A
Hydrochloric Acid SCHEMBL5595269 0.79 PLAU (0.70) PLAUDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208521-B2 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2007-04-24 US disclosed
US-7208521-B2 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2007-04-24 US disclosed
US-7208521-B2 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2007-04-24 US disclosed
US-7049460-B1 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2006-05-23 US disclosed
US-20050215642-A1 Selective inhibitors of the urokinase plasminogen activator WILEX AG (DE) 2005-09-29 US disclosed
EP-1206447-B1 SELECTIVE INHIBITORS OF THE UROKINASE PLASMINOGENE ACTIVATORS WILEX AG (DE) 2004-02-25 EP disclosed
EP-1206447-A1 SELECTIVE INHIBITORS OF THE UROKINASE PLASMINOGENE ACTIVATORS Wilex Biotechnology GmbH (DE) 2002-05-22 EP disclosed
WO-2001014324-A1 SELECTIVE INHIBITORS OF THE UROKINASE PLASMINOGENE ACTIVATORS WILEX AG (DE) 2001-03-01 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-20050215642-A1 Selective inhibitors of the urokinase plasminogen activator PLAU, SERPINE1, PLAUR ALDH1A1 1423/4885MEN1 3295/4885KMT2A 3194/4885

“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.