SCHEMBL1321754

SCHEMBL1321754

O=[N+]([O-])c1ccccc1-n1cccc1C=CC1OCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.46
▸ ALDH1A1 P00352 8/20 0.36
▸ MAPT P10636 5/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ HCAR1 Q9BXC0 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ L3MBTL1 Q9Y468 6/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL1321752 1.00 KMT2A (0.46) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL1319629 0.78 GAA (0.32) GAA
SCHEMBL30910850 0.78 KMT2A (0.57) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL30910853 0.78 KMT2A (0.57) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL30910852 0.78 KMT2A (0.57) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL1322136 0.77 KMT2A (0.56) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL1322135 0.77 KMT2A (0.56) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL1321811 0.76 KMT2A (0.74) KMT2AALDH1A1MAPTHTTHCAR1
SCHEMBL17537313 0.76 KMT2A (0.51) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL12120940 0.74 ATM (0.49) KMT2AALDH1A1MAPTLMNAHTT

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-2348016-B1 Phenyl pyrrole aminoguanidine derivatives SYNACT PHARMA APS (DK) 2016-02-17 — — EP disclosed
US-8058306-B2 Phenyl pyrrole aminoguanidine derivatives ACTION PHARMA A/S (DK) 2011-11-15 — — US disclosed
EP-2348016-A1 Phenyl pyrrole aminoguanidine derivatives Action Pharma A/S (DK) 2011-07-27 — — EP disclosed
EP-2035373-B1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES ACTION PHARMA AS (DK) 2011-05-04 — — EP disclosed
US-20110082183-A1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES ACTION PHARMA A/S (DK) 2011-04-07 — — 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 (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-20110082183-A1 PHENYL PYRROLE AMINOGUANIDINE DERIVATIVES MC1R, MC5R, MC4R KMT2A 3058/4885ALDH1A1 2301/4885MAPT 85/4885

“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.

Send feedback