SCHEMBL24433765

SCHEMBL24433765

CN(C)CNC(=N)NCCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TAAR1 Q96RJ0 2/20 0.45
OPRM1 P35372 1/20 0.42
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL14868724 0.81 ADAM17 (0.52) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL14868680 0.78 NPC1 (0.50) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL28170304 0.77 RAB9A (0.49) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL14868800 0.76 NPC1 (0.51) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL14868679 0.75 ADAM17 (0.49) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL7997473 0.75 NPC1 (0.50) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10310223 0.74 NPC1 (0.57) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL29074376 0.73 NPC1 (0.55) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL680547 0.71
SCHEMBL14559633 0.71 ADAM17 (0.57) ADAM17NPC1RAB9ASMN1; SMN2TAAR1

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-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 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-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 ADAM17 4004/4885NPC1 405/4885RAB9A 2425/4885

“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.