SCHEMBL683715

SCHEMBL683715

O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.85
KMT2A Q03164 11/20 0.85
NPC1 O15118 7/20 0.85
PAX8 Q06710 1/20 0.81
RAB9A P51151 7/20 0.76
RRM1 P23921 4/20 0.76
KLF5 Q13887 3/20 0.76
IDO1 P14902 2/20 0.76
SMN1; SMN2 Q16637 3/20 0.71
MAPT P10636 3/20 0.71
HSP90AA1 P07900 2/20 0.71
HTT P42858 2/20 0.71
KDM4E B2RXH2 2/20 0.71
LMNA P02545 1/20 0.71
GAA P10253 1/20 0.71
HPGD P15428 1/20 0.71
ALOX12 P18054 1/20 0.71
PTBP1 P26599 1/20 0.71
POLB P06746 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.67

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
SCHEMBL2847708 1.00 MEN1 (0.85) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL29414666 0.90 PAX8 (1.00) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL800974 0.90 PAX8 (1.00) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL16713131 0.90 PAX8 (1.00) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL14223812 0.90 MEN1 (0.81) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL12868819 0.90 MEN1 (0.81) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL1679411 0.90 PAX8 (1.00) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL14906922 0.89 MEN1 (0.81) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL16035633 0.89 MEN1 (0.81) MEN1KMT2ANPC1PAX8RAB9A
SCHEMBL21211326 0.88 MEN1 (0.75) MEN1KMT2ANPC1PAX8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118464808-A Method for detecting fluorine ions and application thereof 华南师范大学 2024-08-09 CN disclosed
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
EP-3659591-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2023-10-25 EP disclosed
EP-4029510-A1 HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS Kodiak Sciences Inc. (US) 2022-07-20 EP disclosed
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2022-01-06 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20100130450-A1 Methods of Treating Fungal Infections NORTHEASTERN UNIVERSITY (US) 2010-05-27 US disclosed
US-20100130450-A1 Methods of Treating Fungal Infections NORTHEASTERN UNIVERSITY (US) 2010-05-27 US disclosed
US-20100130450-A1 Methods of Treating Fungal Infections NORTHEASTERN UNIVERSITY (US) 2010-05-27 US disclosed
EP-2146702-A2 METHODS OF TREATING FUNGAL INFECTIONS NorthEastern University (US) 2010-01-27 EP disclosed
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 US disclosed
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 US disclosed
WO-2008137128-A2 METHODS OF TREATING FUNGAL INFECTIONS NORTHEASTERN UNIVERSITY (US) 2008-11-13 WO disclosed
WO-2008137128-A2 METHODS OF TREATING FUNGAL INFECTIONS NORTHEASTERN UNIVERSITY (US) 2008-11-13 WO disclosed
EP-1752143-A1 Novel uses for drugs targeting glutamine synthetase NewThera (FR) 2007-02-14 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 (5 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 MEN1 536/4885KMT2A 1362/4885NPC1 1690/4885
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARP15 MEN1 1638/4885KMT2A 1009/4885NPC1 2270/4885
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE GLUL, GLS2, ASNS MEN1 3014/4885KMT2A 3171/4885NPC1 2094/4885
US-20100130450-A1 Methods of Treating Fungal Infections ERG28, DPM1, COXFA4L2 MEN1 1822/4885KMT2A 4135/4885NPC1 904/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 MEN1 1638/4885KMT2A 1009/4885NPC1 2270/4885

“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.