SCHEMBL427458

SCHEMBL427458

CC1(C)COCN1C(=O)n1nc(-c2ccccc2)oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 1/20 0.53
GPR55 Q9Y2T6 8/20 0.40
CNR1 P21554 9/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
CNR2 P34972 2/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL10706130 0.73 SMN1; SMN2 (0.70) KDM4EHPGDSMN1; SMN2KMT2AGPR55
SCHEMBL427872 0.72 ALDH1A1 (0.36) KDM4EHPGDSMN1; SMN2KMT2ACNR1
SCHEMBL424689 0.70 KCNMA1 (0.42) KDM4EHPGDSMN1; SMN2KMT2ACNR1
SCHEMBL425991 0.70 ALDH1A1 (0.40) KDM4EHPGDSMN1; SMN2KMT2ACNR1
SCHEMBL7700706 0.70 KDM4E (0.65) KDM4EHPGDSMN1; SMN2KMT2AGPR55
SCHEMBL7704960 0.69 KMT2A (0.64) KDM4EHPGDSMN1; SMN2KMT2AGPR55
SCHEMBL425578 0.69 FAAH (0.47) KDM4EHPGDKMT2AALDH1A1GAA
SCHEMBL427537 0.69 GABRA5 (0.38) KDM4EHPGDSMN1; SMN2KMT2ACNR1
SCHEMBL425972 0.69 KDM4E (0.36) KDM4EHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL425830 0.69 KCNMA1 (0.36) KDM4EHPGDSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (1 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KDM4E 1982/4885HPGD 247/4885SMN1; SMN2 2818/4885

“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.