SCHEMBL4742399

SCHEMBL4742399

[CH2]c1c[nH]c2ccc(C)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ RAB9A P51151 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ SLC6A4 P31645 3/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ ADRA1B P35368 1/20 0.45

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
SCHEMBL26181019 0.83 HTR2A (0.51) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL29777537 0.78 ATM (0.56) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL12376 0.78 ATM (0.56) HTR1DHTR2ARAB9AKDM4EHSD17B10
Ammonia Solution, Strong SCHEMBL23704299 0.77 ATM (0.54) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL14149493 0.75 HTR1D (0.51) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL1372357 0.75 GPR84 (0.58) HTR1DHTR2AKDM4ESLC6A4HTR1A
SCHEMBL2736671 0.75 HTR2A (0.56) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL15450921 0.75 HTR2A (0.56) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL8268360 0.75 RAB9A (0.53) HTR1DHTR2ARAB9AKDM4EHSD17B10
SCHEMBL4373459 0.75 RAB9A (0.53) HTR1DHTR2ARAB9AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881727-B2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2005-04-19 — — US claimed
EP-1486207-A2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2004-12-15 — — EP claimed
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-12-04 — — US claimed
US-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-07-24 — — US claimed
EP-0950656-A1 SULFONATED AMINO ACID DERIVATIVES AND METALLOPROTEINASE INHIBITORS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-10-20 — — EP claimed
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 — — WO disclosed
US-6919375-B1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2005-07-19 — — US disclosed
US-6881727-B2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2005-04-19 — — US disclosed
US-6838483-B2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2005-01-04 — — US disclosed
EP-1486207-A2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2004-12-15 — — EP disclosed
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-12-04 — — US disclosed
US-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-07-24 — — US disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 — — EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 — — US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 — — US disclosed
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 — — US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 — — US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 — — EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 — — EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 — — 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 (2 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-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same MMP9, MMP2, MMP1 HTR1D 2789/4885HTR2A 2752/4885RAB9A 1067/4885
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same MMP9, MMP2, MMP1 HTR1D 2789/4885HTR2A 2752/4885RAB9A 1067/4885

“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.

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