SCHEMBL449738

SCHEMBL449738

[CH2]c1ccc(N=C=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
P2RY6 Q15077 3/20 0.56
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
HSD17B10 Q99714 4/20 0.41
PNMT P11086 1/20 0.36
CYP3A4 P08684 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 2/20 0.35
LTA P01374 2/20 0.35
MAPT P10636 2/20 0.35
P2RX3 P56373 2/20 0.35
RAD51 Q06609 2/20 0.35
RAD1 O60671 1/20 0.35
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ABCB11 O95342 1/20 0.31

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
Bitoscanate SCHEMBL157128 0.86 MIF (0.72) MIFP2RY6CA1CA2HSD17B10
SCHEMBL13881813 0.79 MIF (0.56) MIFP2RY6CA1CA2HSD17B10
SCHEMBL7203092 0.78 P2RY6 (0.68) MIFP2RY6CA1CA2HSD17B10
SCHEMBL1548531 0.78 MIF (0.62) MIFP2RY6CA1CA2HSD17B10
SCHEMBL14344845 0.76 MIF (0.59) MIFP2RY6CA1CA2HSD17B10
SCHEMBL2005750 0.74 CYP3A4 (0.56) P2RY6CA1CA2CYP3A4TDP1
SCHEMBL6815770 0.74 MIF (0.56) MIFP2RY6CA1CA2HSD17B10
SCHEMBL457225 0.74 MIF (0.56) MIFP2RY6CA1CA2HSD17B10
SCHEMBL9446548 0.74 MIF (0.56) MIFP2RY6CA1CA2HSD17B10
SCHEMBL331404 0.74 MIF (0.56) MIFP2RY6CA1CA2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023170174-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF AN ISOMER-FREE DIENOPHILE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO claimed
WO-2023170164-A1 METHOD FOR PROVIDING A LABELED SINGLE ISOMERIC CHEMICAL ENTITY TARGETING VECTOR BASED ON THE USE OF A SYMMETRICAL DIENE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO claimed
US-20030198598-A1 Polypeptide derivatives ALBERT RAINER (CH) 2003-10-23 US claimed
US-5686410-A EPIDERMAL GROWTH FACTOR WITH CHELATING GROUP NOVARTIS AG (CH) 1997-11-11 US claimed
EP-0484989-B1 Polysubstituted diethylenetriamine chelates for forming a metal-chelate-protein conjugate GANSOW OTTO A (US) 1996-04-24 EP claimed
EP-0484989-A1 Polysubstituted diethylenetriamine chelates for forming a metal-chelate-protein conjugate GANSOW, Otto A. (US) 1992-05-13 EP claimed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP claimed
EP-0328529-A4 BACKBONE POLYSUBSTITUTED CHELATES FOR FORMING A METAL CHELATE-PROTEIN CONJUGATE 1991-03-20 EP claimed
WO-1991001144-A1 LABELED POLYPEPTIDE DERIVATIVES SANDOZ LTD (CH) 1991-02-07 WO claimed
EP-0328529-A1 METHOD FOR PREPARING POLYSUBSTITUTED DIETHYLENETRIAMINEPENTAACETIC ACIDS. GANSOW OTTO A (US) 1989-08-23 EP claimed
US-4833073-A Immunoassay for tetrahydrocannabinol metabolites HOFFMANN-LA ROCHE INC. (US) 1989-05-23 US claimed
WO-1988001618-A1 BACKBONE POLYSUBSTITUTED CHELATES FOR FORMING A METAL CHELATE-PROTEIN CONJUGATE GANSOW OTTO A (US) 1988-03-10 WO claimed
EP-4380632-A1 RADIOCONJUGATES TARGETING CD33 IN THE TREATMENT OF CANCERS Actinium Pharmaceuticals, Inc. (US) 2024-06-12 EP disclosed
CN-113993547-B Use of bispecific antigen binding molecules binding MUC16 and CD3 in combination with 4-1BB costimulation 瑞泽恩制药公司 2024-04-26 CN disclosed
CN-114025802-B Use of bispecific antigen binding molecules binding to PSMA and CD3 in co-stimulatory combinations with 4-1BB 瑞泽恩制药公司 2024-04-23 CN disclosed
EP-4341265-A1 TRIVALENT RADIOISOTOPE BIO-TARGETED RADIOPHARMACEUTICAL, METHODS OF PREPARATION AND USE Northstar Medical Technologies LLC (US) 2024-03-27 EP disclosed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 WO disclosed
EP-0327365-A2 Improvements in or relating to modified haptens useful as imaging and therapeutic agents HYBRITECH INCORPORATED (US) 1989-08-09 EP disclosed
EP-0296522-A2 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation THE DOW CHEMICAL COMPANY (US) 1988-12-28 EP disclosed
EP-0085554-A1 Molecular analytical release tags and their use in chemical analysis NORTHEASTERN UNIVERSITY (US) 1983-08-10 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 (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-20030198598-A1 Polypeptide derivatives HDGF, IGFBP1, VIP MIF 116/4885P2RY6 3261/4885CA1 1758/4885

“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.