SCHEMBL3090260

SCHEMBL3090260

CCC(=O)Nc1cc(NC(=O)CC)cc(NC(=O)CC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.67
KMT2A Q03164 4/20 0.67
RAB9A P51151 4/20 0.64
NR4A1 P22736 1/20 0.64
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 2/20 0.59
GAA P10253 3/20 0.57
MEN1 O00255 3/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 2/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 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
SCHEMBL20382857 0.89 KMT2A (0.56) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL6934507 0.89 KMT2A (0.56) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL11640499 0.89 KMT2A (0.56) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL12240557 0.86 CYP3A4 (0.59) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL10970617 0.86 RAB9A (0.85) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL22270636 0.85 KMT2A (0.65) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL13139888 0.85 HPGD (0.56) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL13019006 0.84 KMT2A (0.56) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL17933421 0.84 POLB (0.56) POLBKMT2ARAB9ANR4A1ALDH1A1
SCHEMBL14670859 0.84 L3MBTL1 (0.61) POLBKMT2ARAB9ANR4A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021220011-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE CONJUGATES BICYCLETX LIMITED (GB) 2021-11-04 WO disclosed
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
WO-2018127699-A1 COMPOUNDS FOR TREATING CANCER Bicyclerd Limited (GB) 2018-07-12 WO disclosed
US-10010626-B2 Molecular constructs with targeting and effector moieties Immunwork Inc. (TW) 2018-07-03 US disclosed
US-20160208021-A1 Molecular constructs with targeting and effector moieties Immunwork Inc. (TW) 2016-07-21 US disclosed
US-20160206754-A1 Molecular constructs for treating tumors Immunwork Inc. (TW) 2016-07-21 US disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 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 (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-20160206754-A1 Molecular constructs for treating tumors SNRPE, TP53, DCLRE1B POLB 1489/4885KMT2A 2366/4885RAB9A 2111/4885
US-10010626-B2 Molecular constructs with targeting and effector moieties CD2BP2, HAVCR2, DCLRE1B POLB 2337/4885KMT2A 3371/4885RAB9A 1062/4885
US-20160208021-A1 Molecular constructs with targeting and effector moieties CD2BP2, HAVCR2, DCLRE1B POLB 2337/4885KMT2A 3371/4885RAB9A 1062/4885

“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.