SCHEMBL10972008

SCHEMBL10972008

CCCCCCCc1c[nH]c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
NOS2 P35228 1/20 0.37
GPR84 Q9NQS5 4/20 0.36

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
SCHEMBL11287381 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL27667694 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL11221564 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL27868271 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL4750615 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL27667746 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL9190698 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL4579897 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
SCHEMBL6417360 1.00 KCNH2 (0.50) KCNH2PPARAALDH1A1PKMHPGD
Hydrochloric Acid SCHEMBL29183931 0.98 KCNH2 (0.48) KCNH2PPARAALDH1A1PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
CN-109844069-A Utilize isobutane alkylation oil plant amylene 雪佛龙美国公司 2019-06-04 CN disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 EP 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 (4 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-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR KCNH2 4052/4885PPARA 3845/4885ALDH1A1 4414/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR KCNH2 4052/4885PPARA 3845/4885ALDH1A1 4414/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 KCNH2 3897/4885PPARA 4037/4885ALDH1A1 4754/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR KCNH2 4052/4885PPARA 3845/4885ALDH1A1 4414/4885

“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.