SCHEMBL622778

SCHEMBL622778

[NH]Cc1cc(Cl)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
HIF1A Q16665 4/20 0.68
ALOX15 P16050 4/20 0.68
CYP3A4 P08684 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HTT P42858 3/20 0.68
ALOX12 P18054 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HSP90AA1 P07900 2/20 0.68
MAPT P10636 2/20 0.68
SLC22A1 O15245 1/20 0.68
USP2 O75604 1/20 0.68
LMNA P02545 1/20 0.68
HSPD1 P10809 1/20 0.68
HSPA5 P11021 1/20 0.68
IDO1 P14902 1/20 0.68
CASP1 P29466 1/20 0.68
BLM P54132 1/20 0.68
HSPE1 P61604 1/20 0.68

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
Dichlorophen SCHEMBL9109126 0.81 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL29349447 0.81 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL29524636 0.81 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL18052 0.81 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1
Hydrochloric Acid SCHEMBL739775 0.80 HPGD (0.65) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL2471883 0.79 CYP3A4 (0.95) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL27927501 0.79 HPGD (0.71) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL735904 0.79 CYP3A4 (0.95) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL31515787 0.79 HIF1A (0.71) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL1904046 0.79 HIF1A (0.71) HPGDHIF1AALOX15CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010139288-A1 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS C3 BIO GMBH (DE) 2010-12-09 WO claimed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US claimed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP disclosed
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
EP-2563801-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2013-03-06 EP disclosed
WO-2011134444-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-03 WO disclosed
WO-2010139288-A1 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS C3 BIO GMBH (DE) 2010-12-09 WO disclosed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 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 (3 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP HPGD 236/4885HIF1A 897/4885ALOX15 927/4885
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 HPGD 44/4885HIF1A 1117/4885ALOX15 336/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 HPGD 38/4885HIF1A 446/4885ALOX15 670/4885

“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.