SCHEMBL347528

SCHEMBL347528

O=Cc1ccc(Oc2ncccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KDM4E B2RXH2 4/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
LMNA P02545 3/20 1.00
MEN1 O00255 1/20 0.57
APAF1 O14727 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2A6 P11509 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28121560 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL6879792 0.82 LMNA (0.69) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL6879797 0.82 LMNA (0.69) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL9276142 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL27988544 0.81 SMN1; SMN2 (0.68) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL3933029 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL510396 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2LMNACYP2A6
SCHEMBL31238491 0.79 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2LMNACYP2A6
SCHEMBL30736280 0.79 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL5050902 0.78 PARP10 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986540-B1 THE USE OF CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AS SODIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2005-02-16 EP claimed
US-6696442-B2 THERAPY OF DISORDER RESPONSIVE TO THE BLOCKADE OF SODIUM CHANNELS IN A MAMMAL SUFFERING THEREFROM BY ADMINISTERING CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES, WHICH ACT AS BLOCKERS OF SODIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2004-02-24 US claimed
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof EURO-CELTIQUES S.A. 2003-12-04 US claimed
US-6613803-B1 Treating, preventing or ameliorating pain EURO-CELTIQUE S.A. (LU) 2003-09-02 US claimed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 US claimed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 US claimed
JP-2001526648-A 2001-12-18 JP claimed
EP-0986540-A4 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS INC (US) 2001-07-11 EP claimed
EP-0986540-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-03-22 EP claimed
WO-1998047869-A1 CARBOCYCLIC AND HETEROCYCLIC SUBSTITUTED SEMICARBAZONES AND THIOSEMICARBAZONES AND THE USE THEREOF COCENSYS, INC. (US) 1998-10-29 WO claimed
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 US disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US disclosed
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-12-05 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof COCENSYS, INC. 2002-05-23 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 (7 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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885KDM4E 4404/4885SMN1; SMN2 3476/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885KDM4E 4404/4885SMN1; SMN2 3476/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885KDM4E 4404/4885SMN1; SMN2 3476/4885
US-20030225080-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885KDM4E 3771/4885SMN1; SMN2 87/4885
US-20020061886-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, SLC1A1, SOD1 ALDH1A1 91/4885KDM4E 3771/4885SMN1; SMN2 87/4885
US-20020183321-A1 Carbocyclic and heterocyclic substituted semicarbazones and thiosemicarbazones and the use thereof GLRB, CBR1, ALDH1A2 ALDH1A1 97/4885KDM4E 3849/4885SMN1; SMN2 78/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885KDM4E 3/4885SMN1; SMN2 4281/4885

“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.