SCHEMBL16679281

SCHEMBL16679281

Nc1ccc(SCC(=O)N2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
KMT2A Q03164 3/20 0.69
HPGD P15428 6/20 0.56
USP2 O75604 1/20 0.56
ADRB2 P07550 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
FKBP1A P62942 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL9527356 0.84 RAB9A (0.69) RAB9ASMN1; SMN2KMT2AHPGDFKBP1A
SCHEMBL9529304 0.84 RAB9A (0.97) RAB9ASMN1; SMN2KMT2AHPGDFKBP1A
SCHEMBL12503286 0.83 FKBP1A (0.71) RAB9ASMN1; SMN2KMT2AHPGDFKBP1A
SCHEMBL24814445 0.78 FKBP1A (0.49) RAB9ASMN1; SMN2KMT2AHPGDFKBP1A
SCHEMBL29986456 0.78 FKBP1A (0.49) RAB9ASMN1; SMN2KMT2AHPGDFKBP1A
SCHEMBL16679379 0.74 RAB9A (0.52) RAB9ASMN1; SMN2KMT2AHPGDUSP2
Hydrochloric Acid SCHEMBL20767837 0.73 RAB9A (0.51) RAB9ASMN1; SMN2KMT2AHPGDUSP2
SCHEMBL24564850 0.73 SIGMAR1 (0.54) SMN1; SMN2KMT2AHPGDFKBP1AALDH1A1
SCHEMBL16679378 0.73 RAB9A (0.54) RAB9ASMN1; SMN2KMT2AHPGDFKBP1A
SCHEMBL1883404 0.73 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AHPGDALDH1A1MEN1

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 1910/4885SMN1; SMN2 3490/4885KMT2A 3654/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 RAB9A 1910/4885SMN1; SMN2 3490/4885KMT2A 3654/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 RAB9A 1910/4885SMN1; SMN2 3490/4885KMT2A 3654/4885

“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.