SCHEMBL4897614

SCHEMBL4897614

O=C(ONCCCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
EPHX2 P34913 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
EPHX1 P07099 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL28384785 0.90 MGLL (0.51) NPC1RAB9ATDP1KMT2APOLB
SCHEMBL10904247 0.86 KMT2A (0.53) L3MBTL1KDM4ETDP1CASP3SENP7
Hydrochloric Acid SCHEMBL10904248 0.84 KMT2A (0.52) L3MBTL1KDM4ETDP1CASP3SENP7
SCHEMBL28079976 0.84 L3MBTL1 (0.56) NPC1RAB9AL3MBTL1KDM4EGAA
Hydrochloric Acid SCHEMBL10905007 0.84 KMT2A (0.52) L3MBTL1KDM4ETDP1CASP3SENP7
SCHEMBL8375337 0.83 KMT2A (0.50) KDM4ETDP1CASP3SENP7SENP6
SCHEMBL3492807 0.81 LMNA (0.51) TDP1KMT2APOLBCYP2D6ALDH1A1
SCHEMBL14974133 0.80 POLB (0.47) NPC1RAB9ATDP1KMT2APOLB
SCHEMBL8519008 0.80 NAAA (0.57) TDP1HPGDKMT2APOLBEPHX1
SCHEMBL27419910 0.79 ALDH1A1 (0.53) NPC1RAB9ATDP1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715146-A Eradicate the method and composition of leukaemia cell 哈佛学院校长同事会 2019-05-03 CN disclosed
CN-102802623-A Compounds, compositions and methods comprising 1,3,4-oxadiazole derivatives INST ONEWORLD HEALTH 2012-11-28 CN disclosed
CN-102695510-A Pyrimido-pyrrolo-quinoxalinedione inhibitors of cystic fibrosis transmembrane conductance regulator protein and uses therefor UNIV CALIFORNIA 2012-09-26 CN disclosed
CN-102458122-A Compounds, compositions and methods comprising pyridazine sulfonamide derivatives INST ONEWORLD HEALTH 2012-05-16 CN disclosed
CN-101668732-A CFTR inhibitor compound and uses thereof INST ONEWORLD HEALTH 2010-03-10 CN disclosed
US-20080103205-A1 Pesticidal compositions and methods of use VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2008-05-01 US disclosed
CN-1960966-A Hydrazide-containing CFTR inhibitor compounds and uses thereof UNIV CALIFORNIA (US) 2007-05-09 CN disclosed
WO-2007050867-A2 PESTICIDAL COMPOSITIONS AND METHODS OF USE VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-05-03 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 (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-20080103205-A1 Pesticidal compositions and methods of use SLC47A1, SLC22A8, SLC47A2 NPC1 717/4885RAB9A 2385/4885L3MBTL1 1466/4885

“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.