SCHEMBL6164992

SCHEMBL6164992

O=C(CO)NCCSCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.77
HPGD P15428 8/20 0.77
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KMT2A Q03164 3/20 0.65
CYP2C19 P33261 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
GAA P10253 1/20 0.60
POLB P06746 3/20 0.57
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.55
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 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
SCHEMBL17633919 0.87 ALDH1A1 (1.00) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL6164990 0.87 ALDH1A1 (0.77) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL8353967 0.85 ALDH1A1 (0.74) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL17633768 0.83 ALDH1A1 (0.70) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL11579804 0.81 ALDH1A1 (0.69) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL17468450 0.81 ALDH1A1 (0.69) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL15023510 0.80 LMNA (1.00) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL17633769 0.78 HPGD (0.64) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL4850636 0.78 LMNA (0.68) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL17117429 0.78 HPGD (0.84) ALDH1A1HPGDLMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014060925-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISEASES KANDULA MAHESH (IN) 2014-04-24 WO disclosed
US-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US disclosed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A ALDH1A1 245/4885HPGD 119/4885LMNA 3646/4885

“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.