SCHEMBL18657863

SCHEMBL18657863

COc1cccc(NC(=O)NC2CCN(C(C)C)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.70
▸ RAB9A P51151 3/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ MAPT P10636 3/20 0.69
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ CXCR3 P49682 1/20 0.56
▸ F10 P00742 2/20 0.56
▸ CCNC P24863 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ USP2 O75604 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL21779851 0.88 NPC1 (0.66) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL20088734 0.82 ALDH1A1 (1.00) RAB9AALDH1A1MAPTKMT2AF10
SCHEMBL18657862 0.80 DCUN1D1 (0.75) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL11313046 0.80 NPC1 (0.75) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL10211556 0.78 NPC1 (0.72) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL31616410 0.76 DCUN1D1 (0.66) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31616451 0.76 DCUN1D1 (0.66) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL31616337 0.76 DCUN1D1 (0.66) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4034536 0.76 MCHR1 (0.65) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL3172963 0.75 EPHX2 (0.79) NPC1RAB9AMAPTMEN1KMT2A

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 NPC1 662/4885RAB9A 2987/4885ALDH1A1 1996/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 NPC1 662/4885RAB9A 2987/4885ALDH1A1 1996/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 NPC1 662/4885RAB9A 2987/4885ALDH1A1 1996/4885

“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.

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