SCHEMBL4200375

SCHEMBL4200375

O=C(O)c1nn(-c2ccccc2[N+](=O)[O-])c(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
AR P10275 1/20 0.41
PIN1 Q13526 2/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
POLB P06746 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL4200369 1.00 MEN1 (0.43) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4192916 0.86 KMT2A (0.47) MEN1KMT2ANPC1RAB9AATM
SCHEMBL3093865 0.71 CTSV (0.58) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27388637 0.70 HTR1A (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4201664 0.69 PKM (0.41) MEN1KMT2AMAPT
SCHEMBL4196530 0.69 PTPN1 (0.42) MEN1KMT2AMAPT
SCHEMBL4201423 0.68 PKM (0.39) MEN1KMT2AMAPT
SCHEMBL3088462 0.68 HTR1A (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6079959 0.67 PIN1 (0.41) MEN1KMT2ANPC1RAB9AATM
SCHEMBL11641804 0.67 TSHR (0.43) MEN1KMT2ANPC1RAB9ASLC5A1

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
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP MEN1 4287/4885KMT2A 2181/4885NPC1 514/4885

“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.