SCHEMBL18658207

SCHEMBL18658207

O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.65
EPAS1 Q99814 2/20 0.65
THRB P10828 1/20 0.65
KMT2A Q03164 2/20 0.64
EPHX2 P34913 6/20 0.64
UBE2M P61081 5/20 0.62
DCUN1D1 Q96GG9 5/20 0.62
EGFR P00533 2/20 0.60
KDR P35968 1/20 0.60
LMNA P02545 1/20 0.59
RAB9A P51151 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL16628043 0.90 HIF1A (0.69) HIF1AEPAS1KMT2AEPHX2RAB9A
SCHEMBL18658209 0.90 EGFR (0.71) KMT2AEPHX2UBE2MDCUN1D1EGFR
SCHEMBL18387541 0.85 EGFR (0.86) EGFRKDR
SCHEMBL16628039 0.82 MAPK14 (0.71) HIF1AEPAS1KMT2AKDRLMNA
SCHEMBL26823043 0.81 THRB (0.54) HIF1AEPAS1THRBKMT2AEPHX2
SCHEMBL18657815 0.81 EPHX2 (0.80) KMT2AEPHX2UBE2MDCUN1D1LMNA
SCHEMBL4921397 0.80 HIF1A (0.55) HIF1AEPAS1KMT2ALMNARAB9A
SCHEMBL5175836 0.78 HIF1A (0.53) HIF1AEPAS1KMT2AEPHX2LMNA
SCHEMBL4915419 0.78 NPC1 (0.78) HIF1AEPAS1KMT2AEPHX2LMNA
SCHEMBL4262607 0.78 EPHX2 (1.00) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
WO-2017049295-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-03-23 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-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 HIF1A 2864/4885EPAS1 1465/4885THRB 4604/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 HIF1A 2864/4885EPAS1 1465/4885THRB 4604/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 HIF1A 2864/4885EPAS1 1465/4885THRB 4604/4885

“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.