SCHEMBL3144940

SCHEMBL3144940

NC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
PLAU P00749 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MIF P14174 1/20 0.45
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13521671 1.00 BACE1 (0.51) BACE1CA12CA1CA2CA9
SCHEMBL12294698 1.00 BACE1 (0.51) BACE1CA12CA1CA2CA9
SCHEMBL5097623 0.84 LMNA (0.50) CA12CA1CA2CA9LMNA
SCHEMBL6376097 0.84 PLAU (0.45) CA12CA1CA2CA9PLAU
SCHEMBL6375277 0.83 ALDH1A1 (0.50) CA12CA1CA2CA9PLAU
SCHEMBL8444209 0.82 LMNA (0.46) CA12CA1CA2CA9PLAU
SCHEMBL12295603 0.82 PLAU (0.47) BACE1CA12CA1CA2CA9
SCHEMBL8811364 0.82 LMNA (0.48) CA12CA1CA2CA9PLAU
SCHEMBL15184648 0.82 ALDH1A1 (0.53) BACE1CA12CA1CA2CA9
SCHEMBL8363864 0.82 ALDH1A1 (0.53) BACE1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435059-B1 Retroviral protease inhibitors HOECHST AG (DE) 1997-11-05 EP claimed
US-5663139-A VIRICIDE OLIGOPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-02 US claimed
EP-0649426-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-26 EP claimed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 WO claimed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP claimed
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARM INC (US) 2024-03-14 US disclosed
US-20220041605-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2022-02-10 US disclosed
CN-104193750-B Suppress mitotic Compounds and methods for by suppressing aurora kinase 千禧药品公司 2018-04-27 CN disclosed
US-9359327-B2 Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-06-07 US disclosed
EP-2924035-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES Janssen Pharmaceutica NV (BE) 2015-09-30 EP disclosed
EP-2924023-A1 piperidine und piperazine derivativs Janssen Pharmaceutica NV (BE) 2015-09-30 EP disclosed
US-9079884-B2 Process for the preparation of substituted pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-07-14 US disclosed
EP-0435059-B1 Retroviral protease inhibitors HOECHST AG (DE) 1997-11-05 EP disclosed
US-5663139-A VIRICIDE OLIGOPEPTIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
US-5629431-A Inhibitors of retroviral proteases HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
EP-0649426-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-26 EP disclosed
WO-1994000461-A1 INHIBITORS OF RETROVIRAL PROTEASES HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
EP-0435059-A1 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-03 EP disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP 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 (2 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-20220041605-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB BACE1 2861/4885CA12 2704/4885CA1 3017/4885
US-20240083906-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB BACE1 2861/4885CA12 2704/4885CA1 3017/4885

“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.