SCHEMBL16679474

SCHEMBL16679474

N=C(N=C(N)N1CCCC1)Nc1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.38
NPC1 O15118 7/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
Hydrochloric Acid SCHEMBL23035313 0.85 SMN1; SMN2 (0.53) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL16679503 0.84 NPC1 (0.43) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL23035339 0.84 LMNA (0.54) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL23035322 0.84 KMT2A (0.54) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL23035307 0.83 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL23035170 0.82 KIF11 (0.43) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL23035167 0.81 KMT2A (0.44) RAB9AMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL23035197 0.81 ALDH1A1 (0.45) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL23035275 0.81 KIF11 (0.42) MAPTKMT2AMEN1L3MBTL1
SCHEMBL23035237 0.81 KMT2A (0.46) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 US disclosed
US-10221190-B2 Biguanide compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2019-03-05 US disclosed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 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 (3 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-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 RAB9A 1910/4885NPC1 1960/4885MAPT 4005/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 RAB9A 1910/4885NPC1 1960/4885MAPT 4005/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 RAB9A 1910/4885NPC1 1960/4885MAPT 4005/4885

“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.