SCHEMBL9768928

SCHEMBL9768928

CC(=NN)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.55
TOP2A P11388 2/20 0.51
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
ALOX12 P18054 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
NPC1 O15118 5/20 0.46
AGTR1 P30556 4/20 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
SCHEMBL17963025 1.00 KDM4E (0.68) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL25162057 1.00 KDM4E (0.68) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL31494657 1.00 KDM4E (0.68) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL1256130 0.83 KDM4E (0.73) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL241401 0.81 KDM4E (0.70) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL167986 0.81 KDM4E (0.70) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL1384556 0.81 KDM4E (1.00) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL19386605 0.81 KDM4E (0.70) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL3660657 0.81 KDM4E (1.00) KDM4EALDH1A1TOP2ARAB9ASMN1; SMN2
SCHEMBL20412512 0.81 KDM4E (0.53) KDM4EALDH1A1TOP2ARAB9ASMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1224005-A Anticancer thiosemicarbazides compounds and their producing process MINGSHENG KAIPU PHARMACEUTICAL (CN) 1999-07-28 CN claimed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US claimed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP claimed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO claimed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO disclosed
US-20200062839-A1 USE OF DIANHYDROGALACTITOL OR ANALOGS AND DERIVATIVES IN COMBINATION WITH VEGF INHIBITORS TO TREAT CANCER DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2020-02-27 US disclosed
WO-2016123246-A1 (THIO, OXO AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 WO disclosed
US-20150302140-A1 IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-10-22 US disclosed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN disclosed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN disclosed
CN-1224005-A Anticancer thiosemicarbazides compounds and their producing process MINGSHENG KAIPU PHARMACEUTICAL (CN) 1999-07-28 CN disclosed
US-5023334-A Anthelmintic pyridinyl acylhydrazones THE UPJOHN COMPANY (US) 1991-06-11 US disclosed
US-5011932-A Anthelmintic pyridinyl acylhydrazones derivatives UPJOHN COMPANY (US) 1991-04-30 US disclosed
EP-0214158-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-03-18 EP disclosed
WO-1986004582-A1 ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1986-08-14 WO disclosed
EP-0153340-A1 A BIOCIDAL, PARTICULARLY FUNGICIDAL AND/OR BACTERICIDAL COMPOSITION AND THIOSEMICARBAZONES AND METAL COMPLEXES THEREOF FOR USE IN THE COMPOSITION A/S CHEMINOVA (DK) 1985-09-04 EP disclosed
WO-1985000955-A1 A BIOCIDAL, PARTICULARLY FUNGICIDAL AND/OR BACTERICIDAL COMPOSITION AND THIOSEMICARBAZONES AND METAL COMPLEXES THEREOF FOR USE IN THE COMPOSITION A/S CHEMINOVA (DK) 1985-03-14 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-20200062839-A1 USE OF DIANHYDROGALACTITOL OR ANALOGS AND DERIVATIVES IN COMBINATION WITH VEGF INHIBITORS TO TREAT CANCER PGF, HDGF, VEGFA KDM4E 3345/4885ALDH1A1 1359/4885TOP2A 1431/4885

“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.