Sugi Predict

Sugi Predict / Compounds / SCHEMBL409745

SCHEMBL409745

SCHEMBL409745

CC(C)(C)C(=O)Nc1nc2ccc(CBr)cc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29850888 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL6455693 0.90 TYMS (0.46) SMN1; SMN2ALDH1A1HPGDMAPTTYMS
SCHEMBL13258760 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL12509440 0.86 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL6837715 0.85 TYMS (0.47) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL29850712 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL15290198 0.84 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL12421798 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL8873027 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL13459858 0.80 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880806-B 2-amino-4-oxo-quinazoline dithiocarbamate derivative, and pharmaceutical composition and application thereof 深圳大学 2022-09-13 — — CN disclosed
CN-113880806-A 2-amino-4-oxo-quinazoline dithio formate derivative, and pharmaceutical composition and application thereof 深圳大学 2022-01-04 — — CN disclosed
EP-2396040-B1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET SA (FR) 2017-04-05 — — EP disclosed
US-9549992-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-20160263237-A1 Folate Receptor Binding Conjugates of Antifolates PURDUE RESEARCH FOUNDATION (US) 2016-09-15 — — US disclosed
US-9192682-B2 Folate receptor binding conjugates of antifolates ENDOCYTE, INC. (IN) 2015-11-24 — — US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 — — US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 — — US disclosed
US-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates ENDOCYTE, INC. (US) 2014-07-31 — — US disclosed
US-8546425-B2 Folate receptor binding conjugates of antifolates PURDUE RESEARCH FOUNDATION (US) 2013-10-01 — — US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 — — US disclosed
US-5593999-A Non-classical folate analogue inhibitors of glycinamide ribonucleotide formyltransferase (GARFT) NAIR MADHAVAN G (US) 1997-01-14 — — US disclosed
WO-1996040680-A1 NOVEL NON-CLASSICAL FOLATE ANALOGUE INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYLTRANSFERASE (GARFT) NAIR MADHAVAN G (US) 1996-12-19 — — WO disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 — — US disclosed
US-5145854-A 1-formyl-5,8,10-trideazafolates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1992-09-08 — — US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 — — EP disclosed
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 — — EP disclosed
US-4857530-A THYMIDYLATE SYNTHASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-08-15 — — US disclosed
EP-0316657-A1 Substituted quinazolinones as anticancer agents WARNER-LAMBERT COMPANY (US) 1989-05-24 — — EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 — — 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 (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-20140213760-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR SMN1; SMN2 2907/4885ALDH1A1 1044/4885HPGD 1056/4885
US-20160263237-A1 Folate Receptor Binding Conjugates of Antifolates FOLR1, FOLR2, DHFR SMN1; SMN2 2907/4885ALDH1A1 1044/4885HPGD 1056/4885
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 SMN1; SMN2 4019/4885ALDH1A1 3513/4885HPGD 1763/4885

“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.