SCHEMBL25514451

SCHEMBL25514451

CN(c1nc2ccccc2s1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
LMNA P02545 3/20 0.53
ALOX15 P16050 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TSHR P16473 1/20 0.53
APP P05067 2/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CASR P41180 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL3887904 0.81 RAB9A (0.58) RAB9ANPC1LMNAALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL28519023 0.79 RAB9A (0.57) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL24449649 0.78 RAB9A (0.46) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL10603259 0.78 RAB9A (0.55) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL30442434 0.78 RAB9A (0.55) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL13763546 0.78 NPC1 (0.59) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL21233552 0.76 TSHR (0.58) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL9283366 0.76 NPC1 (0.47) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL27944586 0.76 FBP1 (0.53) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL11676698 0.75 RAB9A (0.61) RAB9ANPC1LMNAALOX15SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 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 (2 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-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 RAB9A 2002/4885NPC1 163/4885LMNA 3321/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 RAB9A 2002/4885NPC1 163/4885LMNA 3321/4885

“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.