SCHEMBL1923934

SCHEMBL1923934

O=C(CCSc1ccccn1)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL16687945 0.91 ALDH1A1 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29355223 0.90 HPGD (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL43173 0.90 HPGD (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31005444 0.90 HPGD (0.42) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29130297 0.88 ALDH1A1 (0.48) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14273419 0.86 HPGD (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31005443 0.86 HPGD (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20983700 0.85 ALDH1A1 (0.50) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL277974 0.85 ALDH1A1 (0.56) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30498662 0.85 ALDH1A1 (0.56) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849134-B Methods of mediating cytokine expression with anti-CCR 4 antibodies 达纳-法伯癌症研究所公司 2022-05-03 CN disclosed
CN-104994885-B Method and composition for radiohalogen protein labeling 基因泰克公司 2017-09-29 CN disclosed
US-8846080-B2 Vaccine GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2014-09-30 US disclosed
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-20110166043-A1 BIOMARKER DETECTION-2 ATERIS TECHNOLOGIES, LLC 2011-07-07 US disclosed
US-20110159081-A1 VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. 2011-06-30 US disclosed
EP-2328613-A1 VACCINE GlaxoSmithKline Biologicals S.A. (BE) 2011-06-08 EP disclosed
WO-2010023216-A1 VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2010-03-04 WO disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 US disclosed
EP-1032427-A2 CONJUGATES OF CYTOKINES AND DRUGS OR GENES FOR TREATING PROLIFERATING CELLS Bioinnovation Limited (GB) 2000-09-06 EP disclosed
WO-1999026660-A2 CONJUGATES OF CYTOKINES AND DRUGS OR GENES FOR TREATING PROLIFERATING CELLS BIOINNOVATION LIMITED (GB) 1999-06-03 WO 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 (2 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-20110166043-A1 BIOMARKER DETECTION-2 CPB2, NAALAD2, PRSS2 HPGD 714/4885ALDH1A1 1052/4885NPC1 4296/4885
US-20110159081-A1 VACCINE LY96, CD47, CD74 HPGD 1987/4885ALDH1A1 4568/4885NPC1 816/4885

“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.