SCHEMBL19176158

SCHEMBL19176158

Bc1ccc(CCNC(=N)NC(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 2/20 0.44
▸ IDO1 P14902 1/20 0.40
▸ CA1 P00915 4/20 0.35
▸ CA2 P00918 4/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ F13A1 P00488 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ KMT2A Q03164 3/20 0.33

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
SCHEMBL14012684 0.86 ST14 (0.49) ST14IDO1CA1CA2NPC1
SCHEMBL12363836 0.85 ST14 (0.45) ST14IDO1CA1CA2NPC1
SCHEMBL17777450 0.85 KDM4E (0.50) ST14IDO1CA2NPC1RAB9A
SCHEMBL8441620 0.83 IDO1 (0.60) ST14IDO1CA1CA2NPC1
SCHEMBL17198835 0.83 NPC1 (0.46) ST14IDO1CA1CA2NPC1
SCHEMBL18624777 0.83 ST14 (0.44) ST14IDO1CA1CA2NPC1
SCHEMBL19176287 0.83 ST14 (0.34) ST14IDO1
Hydrochloric Acid SCHEMBL19371472 0.83 KDM4E (0.49) ST14IDO1NPC1RAB9ACYP2D6
SCHEMBL18624768 0.83 NPC1 (0.49) ST14IDO1CA1CA2NPC1
SCHEMBL17198796 0.83 HPGD (0.46) ST14IDO1CA1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210704-A1 DEUTERO-PHENFORMIN DERIVATIVES ENLIBRIUM, INC. 2017-07-27 — — US 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-20170210704-A1 DEUTERO-PHENFORMIN DERIVATIVES PKD1, GLS, WFS1 ST14 1516/4885IDO1 4361/4885CA1 4163/4885

“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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