SCHEMBL6750642

SCHEMBL6750642

CCCC[Sn+](CCCC)CCCC.[H-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.32
SLC22A1 O15245 3/20 0.32
SLC22A2 O15244 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 4/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL30633598 0.96 TSHR (0.46) TSHRLMNATHRBALDH1A1TDP1
Lithium Ion SCHEMBL7024406 0.93 TSHR (0.38) TSHRLMNATHRBALDH1A1TDP1
Bromide SCHEMBL2345 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
Hydrochloric Acid SCHEMBL7928153 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
Iodide SCHEMBL578857 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
Hydrochloric Acid SCHEMBL1130 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
Hydrogen Sulfide SCHEMBL10730186 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
Fluoride Ion SCHEMBL394141 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
SCHEMBL910536 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1
Water SCHEMBL932356 0.92 TSHR (0.43) TSHRLMNATHRBALDH1A1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970210-B1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES Celon Pharma Sa (PL) 2017-01-04 EP disclosed
EP-2970210-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2016-01-20 EP disclosed
WO-2014141015-A1 PYRAZOLYLBENZO[D]IMIDAZOLE DERIVATIVES CELON PHARMA S.A. (PL) 2014-09-18 WO disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 TSHR 3062/4885LMNA 4878/4885THRB 4064/4885

“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.