SCHEMBL269463

SCHEMBL269463

CCCCN([C]=S)CCCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
CA2 P00918 2/20 0.34
DNM1 Q05193 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
NAAA Q02083 1/20 0.33
THRB P10828 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL271351 0.95 ALDH1A1 (0.34) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL269572 0.95 DNM1 (0.42) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL271232 0.92 DNM1 (0.46) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL270638 0.92 DNM1 (0.43) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL11822186 0.89 DNM1 (0.48) ALDH1A1CA12CA1CA9CA2
SCHEMBL271648 0.89 DNM1 (0.48) ALDH1A1CA12CA1CA9CA2
SCHEMBL270406 0.89 DNM1 (0.48) ALDH1A1CA12CA1CA9CA2
SCHEMBL11827559 0.89 DNM1 (0.48) ALDH1A1CA12CA1CA9CA2
SCHEMBL11825172 0.89 DNM1 (0.48) ALDH1A1CA12CA1CA9CA2
SCHEMBL270677 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220947-A1 COMPOSITE AMINE ABSORBENT, AND APPARATUS AND METHOD FOR REMOVING CO2 AND/OR H2S MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2016-08-04 US claimed
EP-3034152-A1 COMPOSITE AMINE ABSORPTION SOLUTION, AND METHOD AND DEVICE FOR REMOVING CO2 AND/OR H2S Mitsubishi Heavy Industries, Ltd. (JP) 2016-06-22 EP claimed
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
US-11964957-B2 Pyrazole derivative and harmful organism-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-04-23 US disclosed
EP-3808738-B1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2024-04-17 EP disclosed
CN-112236421-B Pyrazole derivatives and pest control agents 组合化学工业株式会社 2023-12-26 CN disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
EP-3623365-B1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-04 EP disclosed
EP-3808738-A1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2021-04-21 EP disclosed
CN-112236421-A Pyrazole derivative and pest control agent 组合化学工业株式会社 2021-01-15 CN disclosed
US-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-25 US disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0613479-A1 MARCFORTINE/PARAHERQUAMIDE DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS PHARMACIA & UPJOHN COMPANY (US) 1994-09-07 EP disclosed
WO-1993010120-A1 MARCFORTINE/PARAHERQUAMIDE DERIVATIVES USEFUL AS ANTIPARASITIC AGENTS THE UPJOHN COMPANY (US) 1993-05-27 WO disclosed
US-4741980-A Method for increasing color-fastness of organic coloring matter KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-05-03 US disclosed
EP-0216598-A2 Method for increasing color-fastness of organic coloring matter KONICA CORPORATION (JP) 1987-04-01 EP disclosed
US-4118378-A THIURAM SULFIDES OF OXAZOLIDINES AND THIAZOLIDINES PENNWALT CORPORATION (US) 1978-10-03 US disclosed
US-4099003-A NON-BLOOMING ACCELERATOR AND PROCESS FOR VULCANIZATION OF EPDM ELASTOMERS PENNWALT CORPORATION (US) 1978-07-04 US disclosed
US-4008228-A Process for preparing 3-methyl-3-cephem antibiotics ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3979369-A DIENE POLYMER MONSANTO COMPANY (US) 1976-09-07 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-11964957-B2 Pyrazole derivative and harmful organism-controlling agent L3MBTL3, L3MBTL1, L3MBTL4 ALDH1A1 1266/4885ALDH2 908/4885CA12 3964/4885
US-20200199096-A1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT H1-3, HDAC3, H1-0 ALDH1A1 810/4885ALDH2 610/4885CA12 1822/4885
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent H1-3, HDAC3, H1-0 ALDH1A1 810/4885ALDH2 610/4885CA12 1822/4885

“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.