SCHEMBL918751

SCHEMBL918751

N#CNC(=N)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
IDO1 P14902 2/20 0.41
LMNA P02545 3/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC4 P56524 1/20 0.38

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
SCHEMBL15300222 0.85 PLAAT3 (0.48) MEN1KMT2ATRPV1IDO1LMNA
SCHEMBL4682902 0.82 MEN1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL919132 0.82 TSHR (0.57) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4681589 0.80 KMT2A (0.46) MEN1KMT2AALDH1A1F7IDO1
SCHEMBL10592708 0.79 TSHR (0.54) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9667299 0.76 TSHR (0.51) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11391340 0.76 PLA2G1B (0.50) KMT2AALDH1A1HPGDLMNAPOLB
SCHEMBL13039326 0.75 TSHR (0.54) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14261637 0.75 TSHR (0.54) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4019644 0.75 TSHR (0.57) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP claimed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP claimed
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
EP-0507317-B1 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMA CO LTD (JP) 1997-01-15 EP disclosed
EP-0507317-A2 Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 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-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.