SCHEMBL20009005

SCHEMBL20009005

Cc1noc(C)c1C(=O)N1CCN(C(C)C)CC1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ GFER P55789 1/20 0.41
▸ CYP2D6 P10635 5/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ GHSR Q92847 1/20 0.37

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
SCHEMBL18081195 0.83 LMNA (0.55) LMNACYP1A2TSHRALDH1A1CYP2C9
SCHEMBL20012508 0.80 LMNA (0.42) LMNACYP1A2TSHRALDH1A1CYP2C9
SCHEMBL18081250 0.80 LMNA (0.51) LMNACYP1A2TSHRALDH1A1CYP2C9
SCHEMBL26243687 0.70 PRKCB (0.42) LMNATSHR
SCHEMBL26205553 0.70 SMN1; SMN2 (0.38) TSHRCYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL27204244 0.69 SMN1; SMN2 (0.40) TSHRCYP2D6SMN1; SMN2GAA
SCHEMBL27157659 0.69 SMN1; SMN2 (0.40) TSHRCYP2D6SMN1; SMN2GAA
SCHEMBL20008992 0.69 SMN1; SMN2 (0.40) TSHRCYP2D6SMN1; SMN2GAA
SCHEMBL16869402 0.69 SMN1; SMN2 (0.40) TSHRCYP2D6SMN1; SMN2GAA
SCHEMBL20009022 0.69 SMN1; SMN2 (0.40) TSHRCYP2D6SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 — — 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 LMNA 1055/4885CYP1A2 4326/4885TSHR 1817/4885

“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.

Send feedback