SCHEMBL5960485

SCHEMBL5960485

CC(c1cnccn1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.33
CYP2D6 P10635 3/20 0.32
HRH1 P35367 3/20 0.32
KCNH2 Q12809 2/20 0.32
CHRM1 P11229 1/20 0.32
LONP1 P36776 1/20 0.31
NAPRT Q6XQN6 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL10103672 1.00 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL13093998 1.00 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL28182368 0.81 LMNA (0.37) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL28182369 0.81 LMNA (0.37) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL9963353 0.77 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL18714321 0.77 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL20327882 0.77 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL10388192 0.77 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1HSP90AA1LMNA
SCHEMBL29738290 0.77
SCHEMBL681871 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests FMC CORPORATION (US) 2023-02-14 US disclosed
US-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-02-18 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 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 (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-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 KDM4E 1325/4885SMN1; SMN2 1913/4885ALDH1A1 1827/4885
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 KDM4E 1325/4885SMN1; SMN2 1913/4885ALDH1A1 1827/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A KDM4E 3283/4885SMN1; SMN2 2362/4885ALDH1A1 2340/4885
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests RDX, RPS4X, CYP4X1 KDM4E 1325/4885SMN1; SMN2 1913/4885ALDH1A1 1827/4885

“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.