SCHEMBL21451933

SCHEMBL21451933

CNc1nccc2c1c(CCC(=O)O)nn2PC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
FFAR4 Q5NUL3 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CHUK O15111 1/20 0.31
FFAR1 O14842 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
SCHEMBL21451895 0.88 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL19730012 0.74 LMNA (0.43) ALDH1A1FFAR1
SCHEMBL21451648 0.71 PTPN1 (0.36) KDM4E
SCHEMBL21451653 0.70 KMT2A (0.33) KDM4EALDH1A1
SCHEMBL21451937 0.68 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL19730107 0.66 CYP11B1 (0.45)
SCHEMBL27848193 0.60 USP2 (0.36) FFAR4KDM4EALDH1A1FFAR1
SCHEMBL21452070 0.59
SCHEMBL8486599 0.55 FFAR1 (0.36) HDAC6FFAR4ALDH1A1FFAR1
SCHEMBL15229716 0.55 HDAC6 (0.52) HDAC6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10918645-B2 Substituted tricyclic heterocyclic compounds and use thereof LIFEARC (GB) 2021-02-16 US disclosed
US-20190307763-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS AND USE THEREOF LIFEARC (GB) 2019-10-10 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 (2 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-10918645-B2 Substituted tricyclic heterocyclic compounds and use thereof MAPT, TTBK1, TNK2 HDAC6 210/4885FFAR4 2830/4885KDM4E 3760/4885
US-20190307763-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS AND USE THEREOF MAPT, NNMT, TKFC HDAC6 168/4885FFAR4 2571/4885KDM4E 3987/4885

“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.