SCHEMBL8893411

SCHEMBL8893411

O=C(O)CN1C(=O)c2ccncc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.71
▸ CA12 O43570 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL21851949 0.85 NPSR1 (0.60) NPSR1CA12CA9MEN1KMT2A
SCHEMBL522649 0.77 CA12 (1.00) NPSR1CA12CA9TDP1MEN1
SCHEMBL29744481 0.77 CA12 (1.00) NPSR1CA12CA9TDP1MEN1
SCHEMBL12187917 0.77 NPSR1 (0.58) NPSR1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL7085111 0.76 CA12 (0.96) NPSR1CA12CA9TDP1MEN1
Phosphine SCHEMBL31113454 0.76 CA12 (0.96) NPSR1CA12CA9TDP1MEN1
SCHEMBL21851959 0.76 NPSR1 (0.75) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL21851990 0.75 NPSR1 (0.50) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL30596967 0.75 MEN1 (0.74) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL14971246 0.75 MEN1 (0.74) NPSR1MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same CITY OF HOPE (US) 2022-05-10 — — US disclosed
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME CITY OF HOPE 2020-03-19 — — US disclosed
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 — — EP disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 — — US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 — — US disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — US disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 — — US disclosed
US-5612336-A Heterocyclic amide derivatives as tachykinin antagonists MERCK, SHARP & DOHME LTD. (GB) 1997-03-18 — — 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 (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-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B NPSR1 2475/4885CA12 4495/4885CA9 2260/4885
US-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same TXN, TXN2, TXNRD3 NPSR1 4610/4885CA12 4302/4885CA9 4122/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 NPSR1 4610/4885CA12 4302/4885CA9 4122/4885

“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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