SCHEMBL3898025

SCHEMBL3898025

O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 1.00
▸ MAPT P10636 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ KDM4E B2RXH2 4/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ USP2 O75604 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 0.78
▸ ME3 Q16798 4/20 0.60
▸ ME2 P23368 3/20 0.60
▸ ME1 P48163 3/20 0.60
▸ CA12 O43570 3/20 0.60
▸ CA2 P00918 3/20 0.60
▸ CA9 Q16790 3/20 0.60
▸ CA1 P00915 2/20 0.60
▸ THRB P10828 2/20 0.55
▸ GFER P55789 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ RAD51 Q06609 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ BLM P54132 1/20 0.55

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
SCHEMBL20013063 0.93 MAPT (0.86) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL3835741 0.88 GAA (1.00) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL20644396 0.88 KMT2A (0.78) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL12240583 0.88 GAA (0.81) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL28151038 0.88 ALDH1A1 (0.78) GAAMAPTALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL23040411 0.87 MAPT (0.78) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL9125722 0.87 ALDH1A1 (0.75) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL3965662 0.86 GAA (0.79) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL2543995 0.86 GAA (0.79) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL13114782 0.83 MAPT (0.71) GAAMAPTALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 — — EP claimed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 — — US claimed
EP-2758385-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN Laboratories Limited (IN) 2014-07-30 — — EP claimed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 — — WO claimed
WO-2019077627-A1 A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE METROCHEM API PVT LTD. (IN) 2019-04-25 — — WO disclosed
WO-2019077627-A1 A PROCESS FOR THE MANUFACTURE OF POSACONAZOLE METROCHEM API PVT LTD. (IN) 2019-04-25 — — WO disclosed
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 — — EP disclosed
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 — — EP disclosed
US-9102664-B2 Process for the preparation of triazole antifungal drug, its intermediates and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-08-11 — — US disclosed
US-9102664-B2 Process for the preparation of triazole antifungal drug, its intermediates and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-08-11 — — US disclosed
US-9102664-B2 Process for the preparation of triazole antifungal drug, its intermediates and polymorphs thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2015-08-11 — — US disclosed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 — — US disclosed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 — — US disclosed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 — — US disclosed
EP-2758385-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN Laboratories Limited (IN) 2014-07-30 — — EP disclosed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 — — WO disclosed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 — — WO disclosed
WO-2009141837-A2 PROCESS FOR PREPARING POSACONAZOLE AND INTERMEDIATES THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2009-11-26 — — 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 (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-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof CYP3A4, CYP51A1, CYP1B1 GAA 505/4885MAPT 1385/4885ALDH1A1 372/4885

“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.

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