SCHEMBL3462228

SCHEMBL3462228

O=C(c1cccnc1)N1[CH]CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
STAT3 P40763 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.47
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47

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
SCHEMBL3458943 0.80 RECQL (0.46) HPGDHSD17B10ALDH1A1GAAMEN1
SCHEMBL1525473 0.80 HPGD (0.53) HPGDMAPK1ALDH1A1MAPTKMT2A
SCHEMBL6835272 0.77 GRM5 (0.48) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL6640482 0.77 PKM (0.66) HPGDPOLBPKMMAPK1ALDH1A1
SCHEMBL22702163 0.77 PKM (0.66) HPGDPOLBPKMMAPK1ALDH1A1
SCHEMBL29457007 0.77 PKM (0.66) HPGDPOLBPKMMAPK1ALDH1A1
SCHEMBL9763711 0.76 PKM (0.74) HPGDPOLBPKMMAPK1ALDH1A1
SCHEMBL29944134 0.76 ALDH1A1 (0.67) HPGDPOLBPKMMAPK1ALDH1A1
SCHEMBL28324495 0.76 ALDH1A1 (0.67) HPGDPOLBPKMMAPK1ALDH1A1
SCHEMBL1569994 0.76 ALDH1A1 (0.67) HPGDPOLBPKMMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073728-A Compounds and their use for modulating hemoglobin GLOBAL BLOOD THERAPEUTICS INC 2015-11-18 CN disclosed
CN-102229605-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALY SRL 2015-01-14 CN disclosed
CN-104003979-A Benzimidazole-2-piperazine compound, pharmaceutical composition of compound and preparing method and application of pharmaceutical composition SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO LTD 2014-08-27 CN disclosed
CN-102219750-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO 2013-05-29 CN disclosed
EP-2144875-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144874-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008141011-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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 (2 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HPGD 81/4885POLB 1953/4885HSD17B10 572/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 HPGD 81/4885POLB 1953/4885HSD17B10 572/4885

“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.