SCHEMBL290229

SCHEMBL290229

CCOC(=O)c1csc(-c2cccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.63
HDAC6 Q9UBN7 1/20 0.61
RAB9A P51151 4/20 0.58
GAA P10253 1/20 0.58
IRAK4 Q9NWZ3 7/20 0.58
CDC7 O00311 2/20 0.58
DBF4 Q9UBU7 2/20 0.58
CYP2E1 P05181 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
Bromide SCHEMBL2113280 0.99 HDAC2 (0.62) HDAC2HDAC6RAB9AGAAIRAK4
SCHEMBL12571448 0.85 HDAC6 (0.69) HDAC2HDAC6RAB9AGAAIRAK4
SCHEMBL2080499 0.85 RAB9A (0.68) RAB9AGAACDC7DBF4MAOA
SCHEMBL2080725 0.85 RAB9A (0.68) HDAC6RAB9AGAACDC7DBF4
SCHEMBL3435162 0.84 RAB9A (0.60) HDAC2RAB9AGAACDC7DBF4
SCHEMBL3435697 0.84 RAB9A (0.60) HDAC2RAB9AGAACDC7DBF4
SCHEMBL27538606 0.82 CYP19A1 (0.61) RAB9AGAANPC1MAPTNPSR1
SCHEMBL9126190 0.81 KMT2A (0.52) HDAC2HDAC6RAB9ACDC7DBF4
Bromide SCHEMBL7221661 0.81 CYP19A1 (0.60) RAB9AGAANPC1MAPTNPSR1
SCHEMBL13602299 0.81 HDAC6 (0.70) HDAC2HDAC6RAB9AGAAIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US disclosed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
WO-2016166250-A1 QUINOLINE DERIVATIVES AS TAM RTK INHIBITORS QURIENT CO., LTD (KR) 2016-10-20 WO disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
US-9357780-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2016-06-07 US disclosed
EP-2614825-B1 Process for the preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed
US-5428168-A Substituted butyrolactol ether derivative BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-06-27 US disclosed
EP-0527817-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-24 EP disclosed
WO-1991017157-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1991-11-14 WO disclosed
US-4080457-A INSECTICIDES, PESTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. 1978-03-21 US 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 HDAC2 4483/4885HDAC6 2912/4885RAB9A 2314/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 HDAC2 4483/4885HDAC6 2912/4885RAB9A 2314/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP HDAC2 1851/4885HDAC6 1172/4885RAB9A 2012/4885

“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.