SCHEMBL14870414

SCHEMBL14870414

CC(C)(C)c1ncc(C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.32
SPR P35270 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL18711841 0.79 HRH1 (0.35) L3MBTL1HPGDSPR
SCHEMBL18689737 0.79 KDM6B (0.53) L3MBTL1HPGDKDM6BKDM4AKDM4D
SCHEMBL19770361 0.78 KDM4E (0.37) L3MBTL1HPGD
SCHEMBL18337906 0.78 L3MBTL1 (0.41) L3MBTL1HPGDCNR1CNR2
SCHEMBL18701501 0.78 DAO (0.41) L3MBTL1HPGDCNR1CNR2
SCHEMBL14872931 0.75 KDM5B (0.32) HPGDSPRPTGS1PTGS2
SCHEMBL2219244 0.73 KDM6B (0.60) HPGDKDM6BKDM4AKDM4DHIF1AN
SCHEMBL18689650 0.73 NPC1 (0.36) HPGDSPR
SCHEMBL12590878 0.72 ALDH1A1 (0.45) L3MBTL1HPGD
SCHEMBL12727645 0.69 CNR1 (0.32) L3MBTL1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS GENENTECH, INC. (US) 2013-04-18 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-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 L3MBTL1 3812/4885HPGD 3239/4885SPR 3367/4885
US-20130096181-A1 METHODS OF USING SCD1 ANTAGONISTS SCD, SELPLG, SCD5 L3MBTL1 2517/4885HPGD 1137/4885SPR 56/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR L3MBTL1 1901/4885HPGD 36/4885SPR 1/4885

“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.