SCHEMBL18657481

SCHEMBL18657481

O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.84
ALDH1A1 P00352 9/20 0.75
POLB P06746 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.70
LYPLA1 O75608 1/20 0.70
TSHR P16473 4/20 0.68
MAPT P10636 2/20 0.68
CYP2C19 P33261 3/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP1A2 P05177 2/20 0.66
KDM4E B2RXH2 1/20 0.66
USP2 O75604 1/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
GAA P10253 3/20 0.64
NPSR1 Q6W5P4 2/20 0.60
CYP2C9 P11712 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
SCHEMBL25692822 0.83 ALDH1A1 (1.00) ACHEALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL18658202 0.81 DCUN1D1 (0.71) ACHEALDH1A1POLBKDM4EKMT2A
SCHEMBL2349204 0.79 ALDH1A1 (0.67) ALDH1A1POLBL3MBTL1SMN1; SMN2TSHR
SCHEMBL30020658 0.79 ALDH1A1 (0.68) ACHEALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL15264440 0.77 ALDH1A1 (0.66) ACHEALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL18657601 0.75 SMN1; SMN2 (0.67) ALDH1A1POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL6865563 0.74 FAAH (0.61) ACHEALDH1A1POLBMAPTKDM4E
SCHEMBL4006377 0.74 ALDH1A1 (0.67) ALDH1A1POLBL3MBTL1SMN1; SMN2CYP2C19
SCHEMBL31492222 0.74 ALDH1A1 (0.67) ALDH1A1POLBL3MBTL1SMN1; SMN2CYP2C19
SCHEMBL4004441 0.74 ALDH1A1 (0.65) ACHEALDH1A1POLBL3MBTL1SMN1; SMN2

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 ACHE 3169/4885ALDH1A1 1996/4885POLB 1579/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 ACHE 3169/4885ALDH1A1 1996/4885POLB 1579/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 ACHE 3169/4885ALDH1A1 1996/4885POLB 1579/4885

“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.