SCHEMBL10319334

SCHEMBL10319334

CCNC(=O)N=C(NC(=O)NCC)SC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9000216 1.00 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL11677537 0.87 FAAH (0.34) ALDH1A1SMN1; SMN2
SCHEMBL10329427 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11678695 0.85 EPHX1 (0.36) ALDH1A1
SCHEMBL11679311 0.85 PKM (0.35)
SCHEMBL11676740 0.84
SCHEMBL11676751 0.80 EPHX1 (0.46) ALDH1A1
SCHEMBL11676128 0.77
SCHEMBL11679051 0.77 GAA (0.32) ALDH1A1
SCHEMBL11675618 0.77 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436972-B Pabendazole derivative, and preparation method and application thereof 山东大学 2024-02-13 CN disclosed
EP-3298005-B1 ANTI-CANCER COMPOUNDS UNIV CALIFORNIA (US) 2024-01-24 EP disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
US-11708352-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 US disclosed
US-20220267307-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-25 US disclosed
CN-114436972-A Pabendazole derivative and preparation method and application thereof 山东大学 2022-05-06 CN disclosed
US-11149025-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 US disclosed
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-20210009562-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
US-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-05 US disclosed
US-20130157979-A1 PHOSPHATE ESTERS OF GYRASE AND TOPOISOMERASE INHIBITORS SPERO THERAPEUTICS, INC. 2013-06-20 US disclosed
WO-2012177707-A1 PHOSPHATE ESTERS OF GYRASE AND TOPOISOMERASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 WO disclosed
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184512-A1 GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184564-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[6-FLUORO-5-[2-(1-HYDROXY-1-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
WO-2012097270-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-{1-HYDROXY-1-METHYL-ETHYL}PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL}-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 WO disclosed
WO-2012097273-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[6-FLUORO-5-[2-(1-HYDROXY-1-METHYL-ETHYL) PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 WO disclosed
WO-2012097269-A1 PYRIMIDINE GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 WO disclosed
WO-2012097274-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATION (US) 2012-07-19 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 (11 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-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1526/4885SMN1; SMN2 2445/4885
US-20210009562-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD ALDH1A1 793/4885SMN1; SMN2 2063/4885
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885SMN1; SMN2 2955/4885
US-11708352-B2 Anti-cancer compounds TP53, VHL, BAD ALDH1A1 793/4885SMN1; SMN2 2063/4885
US-20120184742-A1 PROCESS OF MAKING GYRASE AND TOPOISOMERASE IV INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 3589/4885SMN1; SMN2 4216/4885
US-20220267307-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD ALDH1A1 793/4885SMN1; SMN2 2063/4885
US-20130157979-A1 PHOSPHATE ESTERS OF GYRASE AND TOPOISOMERASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 3745/4885SMN1; SMN2 4637/4885
US-20120184512-A1 GYRASE AND TOPOISOMERASE IV INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 2840/4885SMN1; SMN2 3597/4885
US-11149025-B2 Anti-cancer compounds TP53, VHL, BAD ALDH1A1 793/4885SMN1; SMN2 2063/4885
US-20120184564-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[6-FLUORO-5-[2-(1-HYDROXY-1-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA TOP1, TOP2A, TOP2B ALDH1A1 2070/4885SMN1; SMN2 3253/4885
US-20120184741-A1 SOLID FORMS OF GYRASE INHIBITOR (R)-1-ETHYL-3-[5-[2-(1-HYDROXY-METHYL-ETHYL)PYRIMIDIN-5-YL]-7-(TETRAHYDROFURAN-2-YL)-1H-BENZIMIDAZOL-2-YL]UREA TOP1, TOP2A, TOP2B ALDH1A1 2926/4885SMN1; SMN2 3474/4885

“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.