SCHEMBL18657601

SCHEMBL18657601

O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
PKM P14618 1/20 0.62
KMT2A Q03164 1/20 0.62
TNIK Q9UKE5 1/20 0.55
EGFR P00533 2/20 0.54
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
KDR P35968 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HIF1A Q16665 2/20 0.51

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
SCHEMBL18658209 0.82 EGFR (0.71) ALDH1A1MEN1MAPTKMT2ATNIK
Hydrochloric Acid SCHEMBL27970632 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL13683423 0.79 CHRM1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL3857757 0.79 CHRM1 (0.56) SMN1; SMN2ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL29776952 0.78 CHRNA7 (0.76) SMN1; SMN2ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL20472469 0.78 CHRNA7 (0.76) SMN1; SMN2ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL15435517 0.78 CYP1A2 (0.62) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL13613542 0.77 KDR (0.69) SMN1; SMN2ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL18658202 0.76 DCUN1D1 (0.71) ALDH1A1KMT2AKDM4ELMNAPOLB
SCHEMBL5465410 0.75 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1MAPTKMT2A

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 SMN1; SMN2 3758/4885ALDH1A1 1996/4885L3MBTL1 2569/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 SMN1; SMN2 3758/4885ALDH1A1 1996/4885L3MBTL1 2569/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 SMN1; SMN2 3758/4885ALDH1A1 1996/4885L3MBTL1 2569/4885

“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.