SCHEMBL18657997

SCHEMBL18657997

O=C(Nc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
SIGMAR1 Q99720 5/20 0.73
DRD4 P21917 4/20 0.73
DRD2 P14416 2/20 0.73
DRD3 P35462 2/20 0.73
KMT2A Q03164 2/20 0.73
CCR3 P51677 2/20 0.70
KDM4E B2RXH2 1/20 0.70
HSD17B10 Q99714 1/20 0.70
EPHX2 P34913 1/20 0.65
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
TSHR P16473 1/20 0.62
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL31616449 0.93 ALDH1A1 (0.64) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL31616402 0.93 ALDH1A1 (0.64) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL18657826 0.86 KMT2A (0.77) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL13717362 0.85 SIGMAR1 (0.70) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL18658002 0.85 CCR3 (0.78) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL18657846 0.84 SIGMAR1 (1.00) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL9078087 0.84 DRD4 (1.00) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL14433853 0.84 KMT2A (0.79) ALDH1A1SIGMAR1DRD4DRD2DRD3
SCHEMBL18657813 0.84 UBE2M (0.75) ALDH1A1KMT2AKDM4EHSD17B10EPHX2
SCHEMBL18658202 0.84 DCUN1D1 (0.71) ALDH1A1SIGMAR1DRD4DRD2DRD3

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 ALDH1A1 1996/4885SIGMAR1 3671/4885DRD4 2929/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 ALDH1A1 1996/4885SIGMAR1 3671/4885DRD4 2929/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 ALDH1A1 1996/4885SIGMAR1 3671/4885DRD4 2929/4885

“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.