SCHEMBL919132

SCHEMBL919132

N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TRPV1 Q8NER1 2/20 0.47
IDO1 P14902 3/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
LMNA P02545 3/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL14261637 0.92 TSHR (0.54) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13039326 0.92 TSHR (0.54) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9667299 0.90 TSHR (0.51) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8897831 0.89 TSHR (0.48) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18624773 0.88 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8898311 0.88 TSHR (0.47) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14868746 0.88 TSHR (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8896859 0.87 F7 (0.48) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14868781 0.86 TSHR (0.51) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10592708 0.86 TSHR (0.54) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066623-B1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMA CO LTD (JP) 2013-06-19 EP disclosed
US-7868207-B2 Process for producing 1-(3,4-dichlorobenzyl)-5-octylbiguanide or a salt thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-11 US disclosed
US-20090270653-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
EP-2066623-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2009-06-10 EP disclosed
WO-2008026757-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 WO 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-20090270653-A1 PROCESS FOR PRODUCING 1-(3,4-DICHLOROBENZYL)-5-OCTYLBIGUANIDE OR A SALT THEREOF SLC6A9, CA9, ALKBH1 TSHR 4117/4885SMN1; SMN2 3937/4885MEN1 3812/4885

“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.