SCHEMBL30846704

SCHEMBL30846704

COc1cnc2ccc(NC(=O)C(C)C3CCCC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ F2 P00734 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ IDO1 P14902 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTR1E P28566 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ HPGDS O60760 2/20 0.42
▸ AAK1 Q2M2I8 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL30846658 0.84 IDO1 (0.47) IDO1NPC1RAB9AMEN1LMNA
SCHEMBL30846693 0.80 NPC1 (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30846657 0.76 PRMT3 (0.56) —
SCHEMBL30846587 0.76 KMT2A (0.56) ALDH1A1SMN1; SMN2IDO1NPC1RAB9A
SCHEMBL30846618 0.75 IDO1 (0.46) ALDH1A1SMN1; SMN2IDO1AAK1CYP2C9
SCHEMBL30846683 0.70 IDO1 (0.43) ALDH1A1SMN1; SMN2IDO1MEN1LMNA
SCHEMBL30846578 0.70 SMARCA2 (0.48) ALDH1A1IDO1MEN1KMT2ACYP2C9
SCHEMBL30846697 0.69 SMARCA2 (0.47) ALDH1A1SMN1; SMN2IDO1CYP2C9CYP3A4
SCHEMBL20866546 0.68 HTR1E (0.62) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL30846653 0.68 NPC1 (0.55) ALDH1A1SMN1; SMN2IDO1NPC1RAB9A

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-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 — — 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-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 ALDH1A1 2418/4885SMN1; SMN2 3265/4885F2 4602/4885

“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