SCHEMBL23327019

SCHEMBL23327019

CO/C=C/c1cc2c(Oc3ccc4c(c3)[C@H](C)N(C(=O)O)CC4)ccnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL23327021 1.00 KDM4E (0.37) KDM4ENPC1POLBSMN1; SMN2KMT2A
SCHEMBL21470776 0.90 GHSR (0.36) KDM4E
SCHEMBL23326833 0.83 KDM4E (0.36) KDM4ENPC1POLBSMN1; SMN2KMT2A
SCHEMBL23353691 0.80 GHSR (0.35) KDM4E
SCHEMBL23327068 0.80 KIT (0.39) —
SCHEMBL23326956 0.78 TAS2R14 (0.35) KDM4ENPC1POLBSMN1; SMN2KMT2A
SCHEMBL23326955 0.78 TAS2R14 (0.35) KDM4ENPC1POLBSMN1; SMN2KMT2A
SCHEMBL21470775 0.73 GHSR (0.37) KMT2APARP1
SCHEMBL21470777 0.73 GHSR (0.37) KMT2APARP1
SCHEMBL23326813 0.73 MET (0.36) KDM4ENPC1POLBSMN1; SMN2KMT2A

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 KDM4E 1512/4885NPC1 383/4885POLB 2322/4885

“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.

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