SCHEMBL653550

SCHEMBL653550

NC(=S)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.85
ALOX12 P18054 5/20 0.85
HPGD P15428 4/20 0.85
CYP3A4 P08684 1/20 0.85
CYP2D6 P10635 1/20 0.85
CYP2C9 P11712 1/20 0.85
CYP2C19 P33261 1/20 0.85
TP53 P04637 1/20 0.67
TYR P14679 1/20 0.67
TSHR P16473 1/20 0.67
TAS2R38 P59533 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MAPT P10636 4/20 0.62
KMT2A Q03164 3/20 0.62
HTT P42858 2/20 0.62
MEN1 O00255 2/20 0.62
EPHX1 P07099 2/20 0.61
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL201794 0.85 ALDH1A1 (0.67) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL3425886 0.84 ALDH1A1 (0.60) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL20536976 0.83 ALDH1A1 (0.81) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL6921083 0.83 ALDH1A1 (0.81) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL20536981 0.83 ALDH1A1 (0.81) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL20536958 0.83 ALDH1A1 (0.81) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL20536629 0.83 ALDH1A1 (0.81) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL6578291 0.82 ALDH1A1 (0.80) ALDH1A1ALOX12HPGDCYP3A4CYP2C19
SCHEMBL11441885 0.82 ALDH1A1 (0.67) ALDH1A1ALOX12HPGDCYP3A4CYP2D6
SCHEMBL3983560 0.81 ALDH1A1 (0.56) ALDH1A1ALOX12HPGDCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN claimed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN claimed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP claimed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN disclosed
US-20230263167-A1 METHOD OF PREPARING A BISMUTH SULFIDE PARTICLE CONTAINING ANTIBACTERIAL COMPOSITION IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-08-24 US disclosed
US-11700855-B2 Method for preventing or reducing growth of a microorganism on a surface IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-07-18 US disclosed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN disclosed
US-20210061670-A1 METHOD FOR PREVENTING OR REDUCING GROWTH OF A MICROORGANISM ON A SURFACE IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2021-03-04 US disclosed
EP-0723438-A1 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-31 EP disclosed
WO-1995009619-A2 SUBSTITUTED UREA AND ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-13 WO disclosed
US-4438126-A Lower alkanoic acid derivatives of 2-oxo-benzoxazolines and aldose reductase inhibiting compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-20 US disclosed
EP-0022317-B1 2-OXO-BENZOTHIAZOLINE, BENZOXAZOLINE OR INDOLINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-21 EP disclosed
EP-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 EP disclosed
US-4370340-A ANTIDIABETIC AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 ALDH1A1 261/4885ALOX12 3026/4885HPGD 2021/4885

“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.