SCHEMBL12327468

SCHEMBL12327468

CC(C)(C)CCn1nnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 9/20 0.67
▸ RAB9A P51151 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ GLA P06280 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ EGLN3 Q9H6Z9 2/20 0.55
▸ GRM2 Q14416 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ ATM Q13315 1/20 0.49

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
SCHEMBL20432085 0.87 SLC9A1 (0.63) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL11955094 0.82 SLC9A1 (0.65) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL283896 0.80 SLC9A1 (1.00) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL14796568 0.80 SLC9A1 (0.79) SLC9A1RAB9ANPC1MAPTGLA
Hydrochloric Acid SCHEMBL28971613 0.78 SLC9A1 (0.65) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL1834794 0.77 SLC9A1 (1.00) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL4222242 0.77 SLC9A1 (0.68) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL18977498 0.77 SLC9A1 (0.68) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL731716 0.77 SLC9A1 (0.68) SLC9A1RAB9ANPC1MAPTGLA
SCHEMBL9736987 0.77 SLC9A1 (0.68) SLC9A1RAB9ANPC1MAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 — — US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 — — US disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 — — US disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 — — US disclosed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 — — US disclosed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 — — US disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 — — 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-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS SLC9A1 4096/4885RAB9A 83/4885NPC1 2113/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS SLC9A1 4096/4885RAB9A 83/4885NPC1 2113/4885
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 SLC9A1 2122/4885RAB9A 1304/4885NPC1 2065/4885

“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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