SCHEMBL3484464

SCHEMBL3484464

COc1ccc(-c2cc(-c3ccc(OC)cc3O)n[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.70
MEN1 O00255 12/20 0.70
RAB9A P51151 11/20 0.70
NPC1 O15118 9/20 0.70
MAPT P10636 8/20 0.70
ALOX15 P16050 6/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
HPGD P15428 4/20 0.70
GAA P10253 4/20 0.70
KDM4E B2RXH2 3/20 0.70
LMNA P02545 3/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MAPK1 P28482 2/20 0.69
CASP3 P42574 3/20 0.69
SENP8 Q96LD8 3/20 0.69
SENP7 Q9BQF6 3/20 0.69
SENP6 Q9GZR1 3/20 0.69
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67

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
SCHEMBL3484048 0.93 MEN1 (0.81) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL29858589 0.92 KMT2A (0.80) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL3429429 0.92 KMT2A (0.80) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10357565 0.90 MEN1 (0.72) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10357534 0.89 KMT2A (0.80) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1608474 0.88 RAB9A (0.58) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL14758271 0.88 MEN1 (0.87) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10358277 0.83 MEN1 (0.83) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1181434 0.82 RAB9A (1.00) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL10357520 0.82 KMT2A (0.83) KMT2AMEN1RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867879-B2 Methods for use of small molecule activators of hem-Y / protoporphyrinogen oxidase (PPO) VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2017-08-31 US disclosed
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2017-08-31 US disclosed
US-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2015-06-25 US disclosed
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS VANDERBILT UNIVERSITY 2015-06-25 US disclosed
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 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 (4 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-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF HMOX1, HMOX2, NOD2 KMT2A 4544/4885MEN1 4247/4885RAB9A 3460/4885
US-20160213780-A1 METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO) PPOX, HCCS, HMOX2 KMT2A 1359/4885MEN1 4876/4885RAB9A 1246/4885
US-20150174130-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS KMT2A 4163/4885MEN1 4846/4885RAB9A 1155/4885
US-20170246149-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS HMOX1, HMOX2, HMBS KMT2A 4163/4885MEN1 4846/4885RAB9A 1155/4885

“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.