SCHEMBL16679378

SCHEMBL16679378

N=C(NC(=N)N1CCCC1)Nc1ccc(SCC(=O)N2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 4/20 0.42
FKBP1A P62942 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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 SCHEMBL20767834 0.99 RAB9A (0.53) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL20767851 0.88 SMN1; SMN2 (0.46) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL16679030 0.88 SMN1; SMN2 (0.46) RAB9AKMT2ASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL20767825 0.88 SMN1; SMN2 (0.45) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL16679139 0.86 RAB9A (0.50) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL20972833 0.85 RAB9A (0.46) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL14705750 0.80 RAB9A (0.38) RAB9AKMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL14705888 0.79 KMT2A (0.48) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL16679740 0.79 POLB (0.62) KMT2AHPGDALDH1A1MEN1NPC1
SCHEMBL16679379 0.79 RAB9A (0.52) RAB9AKMT2ASMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221190-B2 Biguanide compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2019-03-05 US claimed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 US claimed
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-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
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 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 1910/4885KMT2A 3654/4885SMN1; SMN2 3490/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 RAB9A 1910/4885KMT2A 3654/4885SMN1; SMN2 3490/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 RAB9A 1910/4885KMT2A 3654/4885SMN1; SMN2 3490/4885

“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.