SCHEMBL1990385

SCHEMBL1990385

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(OC)cc2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 1.00
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
BMP1 P13497 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL1989937 0.92 GHSR (0.86) GHSRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1989162 0.92 GHSR (0.86) GHSRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL17631733 0.90 GHSR (0.82) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1994335 0.90 GHSR (0.81) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1993722 0.90 GHSR (0.81) GHSRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1981210 0.90 GHSR (0.81) GHSRPOLBHDAC3HDAC4HDAC1
SCHEMBL1981207 0.90 GHSR (0.81) GHSRPOLBHDAC3HDAC4HDAC1
SCHEMBL1989497 0.89 GHSR (0.80) GHSRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1991002 0.89 GHSR (0.79) GHSRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1989820 0.87 GHSR (0.78) GHSRHDAC3HDAC4HDAC1HDAC7

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-11759441-B2 Biguanide compositions and methods of treating metabolic disorders ANJI PHARMACEUTICALS INC. (US) 2023-09-19 US disclosed
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMACEUTICALS INC. 2022-05-19 US disclosed
US-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF SAUNDERS JEFFREY O 2011-06-23 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-11759441-B2 Biguanide compositions and methods of treating metabolic disorders SLC5A2, SLC5A1, GPR119 GHSR 365/4885ALDH1A1 980/4885POLB 3200/4885
US-20110152232-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF GHSR, GHRHR, SSTR2 GHSR 1/4885ALDH1A1 3514/4885POLB 4556/4885
US-20220151957-A1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS SLC5A2, SLC5A1, GPR119 GHSR 365/4885ALDH1A1 980/4885POLB 3200/4885

“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.