SCHEMBL24915792

SCHEMBL24915792

COc1ccc2c(c1)C(Br)CCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
HTR1A P08908 4/20 0.47
HTR2B P41595 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR7 P34969 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 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
SCHEMBL25659961 0.82 ENPP2 (0.49) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL6799198 0.81 ENPP2 (0.48) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL9669534 0.81 ENPP2 (0.48) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL24915808 0.81 ENPP2 (0.51) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL1239052 0.81 ENPP2 (0.51) ENPP2HTR1AHTR2BSIGMAR1HTR7
Hydrochloric Acid SCHEMBL26962445 0.79 ENPP2 (0.50) ENPP2HTR1AHTR2BSIGMAR1HTR7
Hydrochloric Acid SCHEMBL22750345 0.79 ENPP2 (0.50) ENPP2HTR1AHTR2BSIGMAR1HTR7
Hydrochloric Acid SCHEMBL11645437 0.79 ENPP2 (0.50) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL24915659 0.78 ENPP2 (0.46) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL24915967 0.78 ENPP2 (0.46) ENPP2HTR1AHTR2BSIGMAR1HTR7

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
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ENPP2 2798/4885HTR1A 4192/4885HTR2B 4251/4885

“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.