SCHEMBL2220740

SCHEMBL2220740

COCCCCNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALPG P10696 1/20 0.56
ALDH1A1 P00352 2/20 0.52
HTR6 P50406 1/20 0.51
FBP1 P09467 1/20 0.51
KMT2A Q03164 2/20 0.50
KAT2B Q92831 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
HCAR3 P49019 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
SIRT5 Q9NXA8 1/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48

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
SCHEMBL739095 0.96 MAPT (0.64) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL10576590 0.92 LMNA (0.68) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL762553 0.86 SMN1; SMN2 (0.60) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL16407600 0.85 MAPT (0.55) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL1420919 0.85 LMNA (0.56) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL10580319 0.83 MAPT (0.58) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL29392855 0.83 KAT2B (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL111539 0.83 KAT2B (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
Hydrochloric Acid SCHEMBL141377 0.82 KAT2B (0.61) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL16211097 0.82 MAPT (0.57) MAPTLMNASMN1; SMN2TDP1ALPG

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 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 (5 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPT 4513/4885LMNA 901/4885SMN1; SMN2 4625/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPT 4363/4885LMNA 114/4885SMN1; SMN2 4567/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPT 4513/4885LMNA 901/4885SMN1; SMN2 4625/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MAPT 4513/4885LMNA 901/4885SMN1; SMN2 4625/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE MAPT 4513/4885LMNA 901/4885SMN1; SMN2 4625/4885

“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.