SCHEMBL10064720

SCHEMBL10064720

N=C(N)NCCOc1cccc(-c2cccc(OCCNC(=N)N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.53
▸ PRSS1 P07477 10/20 0.49
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ F2 P00734 2/20 0.45
▸ PLG P00747 2/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ C1S P09871 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ PROC P04070 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ F9 P00740 1/20 0.43
▸ POLB P06746 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
SCHEMBL16605484 0.87 PRSS1 (0.44) F10PRSS1F2PLGPRSS2
SCHEMBL15125587 0.87 POLB (0.49) F10PRSS1MTNR1AMTNR1BPLG
SCHEMBL10031011 0.86 F10 (0.48) F10PRSS1F2PLGPRSS2
SCHEMBL15037015 0.86 PRSS1 (0.42) F10PRSS1MTNR1AMTNR1BF2
SCHEMBL17058978 0.86 DRD2 (0.55) F10PRSS1MTNR1AMTNR1BF2
SCHEMBL15244895 0.84 PRSS1 (0.44) F10PRSS1F2PLGPRSS2
SCHEMBL10310294 0.83 MTNR1A (0.59) F10PRSS1MTNR1AMTNR1BF2
SCHEMBL15036995 0.82 PRSS1 (0.38) F10PRSS1MTNR1AMTNR1BF2
Hydrochloric Acid SCHEMBL8207466 0.81 MTNR1A (0.57) F10PRSS1MTNR1AMTNR1BF2
SCHEMBL14165193 0.81 F10 (0.41) F10PRSS1MTNR1AMTNR1BF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2012-03-29 — — US disclosed
WO-2010097604-A2 NEW COMPOUNDS UCL BUSINESS PLC (GB) 2010-09-02 — — 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-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS CFTR, GNB1, GMPS F10 753/4885PRSS1 1267/4885MTNR1A 1911/4885

“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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