SCHEMBL30927243

SCHEMBL30927243

NC(=O)C1CC1c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NAMPT P43490 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC9A1 P19634 3/20 0.45
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC4 P56524 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
FAAH O00519 3/20 0.40
ROCK2 O75116 2/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL1019296 0.82 ALDH1A1 (0.57) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL12765360 0.82 ALDH1A1 (0.53) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1017425 0.82 ALDH1A1 (0.57) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1018424 0.82 ALDH1A1 (0.53) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1019924 0.82 ALDH1A1 (0.53) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL1017427 0.82 ALDH1A1 (0.57) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL15219834 0.81 ALDH1A1 (0.51) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL12836827 0.80 SLC9A1 (0.66) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL5816055 0.80 SLC9A1 (0.66) ALDH1A1NAMPTGAALMNAHTT
SCHEMBL871538 0.80 SLC9A1 (0.66) ALDH1A1NAMPTGAALMNAHTT

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-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US claimed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US claimed
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN claimed
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 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 (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-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B ALDH1A1 462/4885NAMPT 1993/4885GAA 2040/4885
US-12247036-B2 Tricyclic compounds for the treatment of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B ALDH1A1 462/4885NAMPT 1993/4885GAA 2040/4885
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 ALDH1A1 2845/4885NAMPT 2341/4885GAA 787/4885

“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.