SCHEMBL23975358

SCHEMBL23975358

O=C(CNc1ccccc1)NCCCCCCCCNC(=O)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
NAAA Q02083 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
EPHX2 P34913 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 2/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
EPHX1 P07099 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGB3 P05106 1/20 0.44

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
SCHEMBL23975360 0.82 SMN1; SMN2 (0.50) NAMPTNAAASMN1; SMN2NPC1PKM
SCHEMBL23975139 0.80 SMN1; SMN2 (0.48) NAMPTNAAASMN1; SMN2NPC1PKM
SCHEMBL17172545 0.77 NAAA (0.82) NAMPTNAAASMN1; SMN2NPC1PKM
SCHEMBL1531645 0.75 EPHX1 (0.64) SMN1; SMN2NPC1EPHX2RAB9AHPGD
SCHEMBL5815460 0.75 EPHX1 (0.66) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL23975142 0.75 NAAA (0.60) NAMPTNAAAEPHX2EPHX1
SCHEMBL4985262 0.75 EPHX1 (0.60) NAAAEPHX2HPGDEPHX1ALDH1A1
SCHEMBL18342995 0.74 EPHX1 (0.63) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL17117275 0.74 TRPV1 (0.65) SMN1; SMN2HPGDEPHX1ALDH1A1KMT2A
SCHEMBL7439092 0.73 EPHX1 (0.54) NAAAPKMHPGDEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 US 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 (1 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 NAMPT 3526/4885NAAA 914/4885SMN1; SMN2 3617/4885

“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.