SCHEMBL3247730

SCHEMBL3247730

O=C(N[C]=S)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
HDAC3 O15379 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
IDO1 P14902 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTGS2 P35354 1/20 0.47
PTPN1 P18031 2/20 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
SCHEMBL554489 0.79 ALOX15 (0.56) ALOX15HDAC3CA12CA1IDO1
SCHEMBL6966522 0.78 HDAC3 (0.56) ALOX15HDAC3CA12CA1IDO1
SCHEMBL7322538 0.77 HDAC3 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL262369 0.77 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL11151143 0.77 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL300028 0.77 ALOX15 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL3248996 0.77 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL17099926 0.76 ALOX15 (0.52) ALOX15HDAC3CA12CA1IDO1
Bromide SCHEMBL28425573 0.76 ALOX15 (0.52) ALOX15HDAC3CA12CA1IDO1
SCHEMBL5803581 0.75 HDAC1 (0.60) HDAC3HDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US claimed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US claimed
JP-8119922-A None JP disclosed
EP-3632441-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-04 US disclosed
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 US disclosed
US-12012419-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-18 US disclosed
WO-2024116086-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-06 WO disclosed
US-20240174610-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-05-30 US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 US disclosed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US disclosed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 US disclosed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US disclosed
US-4124583-A 5-Substituted derivatives of 5H-dibenz (b,f)-azepine and method for obtaining the same DSO "PHARMACHIM" (BG) 1978-11-07 US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 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 (4 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-20240174610-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NTSR2 ALOX15 1976/4885HDAC3 364/4885CA12 4027/4885
US-20240217957-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NPY2R ALOX15 962/4885HDAC3 193/4885CA12 1752/4885
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 ALOX15 2062/4885HDAC3 566/4885CA12 1610/4885
US-12012419-B2 Heterocyclic compound SLC10A2, ALPI, SLC10A1 ALOX15 989/4885HDAC3 204/4885CA12 651/4885

“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.