SCHEMBL5880095

SCHEMBL5880095

O=Cc1ccccc1OCc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALPG P10696 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CDK4 P11802 1/20 0.48

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
SCHEMBL7979482 0.83 NPC1 (0.52) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL15249113 0.83 MEN1 (0.66) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL9446245 0.81 MEN1 (0.64) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31265581 0.80 ALDH1A1 (0.68) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL1199262 0.78 L3MBTL1 (0.68) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL23004928 0.78 ALDH1A1 (0.59) KMT2AHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL6767967 0.78 ALDH1A1 (0.59) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL15619523 0.78 HPGD (0.66) KMT2AHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2930822 0.78 ALDH1A1 (0.66) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL23680052 0.78 CDK4 (0.75) KMT2AHTTSMN1; SMN2ALDH1A1HPGD

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
WO-2024010732-A1 SMALL MOLECULE INHIBITORS OF GLUTAMINE TRANSPORTER ASCT2 AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO disclosed
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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 (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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 KMT2A 1234/4885MEN1 4884/4885NPC1 365/4885

“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.