SCHEMBL1275902

SCHEMBL1275902

S=C(NCc1ccccc1)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 2/20 1.00
MAPT P10636 3/20 0.95
GAA P10253 3/20 0.95
MEN1 O00255 1/20 0.95
POLB P06746 1/20 0.95
KMT2A Q03164 1/20 0.95
LMNA P02545 1/20 0.83
PKM P14618 1/20 0.83
PLA2G1B P04054 1/20 0.77
ATG4B Q9Y4P1 1/20 0.77
MAOA P21397 1/20 0.73
MAOB P27338 1/20 0.73
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA9 Q16790 2/20 0.68
ALPL P05186 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL11239091 0.89 ALOX12 (0.86) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL5878389 0.88 ALOX12 (0.77) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL1396191 0.87 ALOX12 (0.76) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL457957 0.87 GAA (1.00) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL29220674 0.87 ALOX12 (0.76) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL18159147 0.86 ALOX12 (0.74) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL3064641 0.85 ALOX12 (0.74) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL8847588 0.85 ALOX12 (0.74) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL1520659 0.85 MAOB (1.00) ALOX12ALDH1A1HPGDMAPTGAA
SCHEMBL8612547 0.85 MAOB (0.92) ALOX12ALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007090134-A2 USE OF VANILLOID RECEPTOR-1 ANTAGONISTS FOR THE PREVENTION AND TREATMENT OF GLAUCOMA ALCON MANUFACTURING, LTD. (US) 2007-08-09 WO claimed
US-20060167104-A1 Method for extracting a novel compound from the root of a plant of the pentadiplandraceae family and use of N,N'-dibenzylthiourea as a medicine WANDJI THOMAS 2006-07-27 US claimed
US-4316779-A THIOUREA COMPOUND BELL TELEPHONE LABORATORIES, INCORPORATED (US) 1982-02-23 US claimed
US-3989500-A WITH THIOUREA DERIVATIVES ALLIED CHEMICAL CORPORATION (US) 1976-11-02 US claimed
US-12071498-B2 Radically polymerizable compositions Polynt Composites USA, Inc. (US) 2024-08-27 US disclosed
CN-113474383-B Free radical polymerizable composition 波林复合材料美国股份有限公司 2023-10-31 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-20230257500-A1 RADICALLY POLYMERIZABLE COMPOSITIONS BNY MELLON CORPORATE TRUSTEE SERVICES LIMITED, AS SECURITY AGENT (GB) 2023-08-17 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
US-11518834-B2 Radically polymerizable compositions Polynt Composites USA, Inc. (US) 2022-12-06 US disclosed
WO-2022244456-A1 ETHYLENE-VINYL ACETATE COPOLYMER EMULSION, METHOD FOR PRODUCING SAME, AND SOIL EROSION INHIBITOR デンカ株式会社 2022-11-24 WO disclosed
EP-3906265-A1 RADICALLY POLYMERIZABLE COMPOSITIONS Polynt Composites USA Inc. (US) 2021-11-10 EP disclosed
US-4171429-A Pyrimidine to pyrimidine transformation process RESEARCH CORPORATION (US) 1979-10-16 US disclosed
US-4159328-A INSECTICIDES, MITICIDES NIHON NOHYAKU CO., LTD. (JP) 1979-06-26 US disclosed
US-4107326-A ANTIHYPERTENSIVE AGENTS, DIURETICS AMERICAN CYANAMID COMPANY (US) 1978-08-15 US disclosed
US-4105404-A ANTHRAQUINONE DYES, NYLONS ALLIED CHEMICAL CORPORATION (US) 1978-08-08 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-4008228-A Process for preparing 3-methyl-3-cephem antibiotics ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3989500-A WITH THIOUREA DERIVATIVES ALLIED CHEMICAL CORPORATION (US) 1976-11-02 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 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 (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-20060167104-A1 Method for extracting a novel compound from the root of a plant of the pentadiplandraceae family and use of N,N'-dibenzylthiourea as a medicine GPX4, TXNRD2, DUOX1 ALOX12 43/4885ALDH1A1 1048/4885HPGD 23/4885

“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.