SCHEMBL4677903

SCHEMBL4677903

O=C(O)c1ccc(-c2cccc3ccccc23)s1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.61
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
RPS6KB2 Q9UBS0 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.49
HPGDS O60760 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 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
SCHEMBL7235823 0.85 HPGD (0.44) HPGDALDH1A1MEN1POLBRAB9A
SCHEMBL4787012 0.84 HDAC1 (0.61) HPGDALDH1A1RAB9AKDM4EHPGDS
SCHEMBL6359855 0.81 DYRK1A (0.51) HPGDALDH1A1RAB9AKDM4EHPGDS
SCHEMBL7236771 0.80 KDM4E (0.51) HPGDALDH1A1MEN1RAB9AKMT2A
SCHEMBL6353641 0.78 CDC25B (0.50) HPGDALDH1A1RAB9AKMT2ATDP1
SCHEMBL13707355 0.78 CA12 (0.47) HPGDALDH1A1POLBTDP1KDM4E
SCHEMBL6487879 0.77 HPGD (0.67) HPGDALDH1A1MEN1POLBRAB9A
SCHEMBL11523983 0.77 CA12 (0.51) HPGDALDH1A1MEN1POLBRAB9A
SCHEMBL1761545 0.76 RAB9A (0.92) HPGDALDH1A1MEN1POLBRAB9A
SCHEMBL2411077 0.76 HPGD (0.70) HPGDALDH1A1MEN1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202772-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-06-30 US disclosed
WO-2021050556-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-03-18 WO disclosed
WO-2008101186-A1 INHIBITORS FOR HDAC8 THE J. DAVID GLADSTONE INSTITUTES (US) 2008-08-21 WO disclosed
WO-2008101186-A1 INHIBITORS FOR HDAC8 THE J. DAVID GLADSTONE INSTITUTES (US) 2008-08-21 WO disclosed
EP-1532134-B1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-06-04 EP disclosed
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
EP-1532134-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2005-05-25 EP disclosed
WO-2004007477-A1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA S.A. (FR) 2004-01-22 WO disclosed
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 US disclosed
WO-2003006443-A2 2- 4-(NAPHTALIN-2-YL)-THIAZOL-2-YLAMINOCARBONYL BENZOIC ACID AND 2- 4-(NAPHTALIN-2-YL)-PYRIMIDIN-2-YLAMINOCARBONYL BENZOIC ACID AND ADDITIONAL COMPOUNDS SERVING AS TELOMERASE INHIBITORS FOR USE IN TUMOR THERAPY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-23 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-20220202772-A1 COMPOSITIONS AND METHODS FOR INHIBITING RIBOSOME INACTIVATING PROTEINS RACK1, RRBP1, RPL30 HPGD 3417/4885ALDH1A1 3524/4885MEN1 4218/4885
US-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 HPGD 2265/4885ALDH1A1 13/4885MEN1 386/4885
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK HPGD 3708/4885ALDH1A1 3145/4885MEN1 3793/4885

“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.