SCHEMBL22158996

SCHEMBL22158996

O=Cc1ccc(Oc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.62
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
GSTP1 P09211 1/20 0.43
PTGS2 P35354 1/20 0.42
TSHR P16473 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.40
DRD1 P21728 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
BRD4 O60885 1/20 0.38

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
SCHEMBL11795573 0.82 TTR (0.81) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL29446607 0.82 TTR (0.81) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL3926144 0.81 TTR (0.59) TTRALDH1A1MAPTTSHRMAOA
SCHEMBL25125929 0.81 DRD1 (0.59) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL11224238 0.81 MAOA (0.49) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL7756982 0.78 TTR (0.64) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL203768 0.78 TTR (0.64) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL7263488 0.78 TTR (0.64) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL13218233 0.78 TTR (0.64) TTRKMT2ALMNAGAAALDH1A1
SCHEMBL8498710 0.78 TTR (0.69) TTRKMT2ALMNAGAAALDH1A1

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
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
WO-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 WO disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A TTR 2396/4885KMT2A 482/4885LMNA 3920/4885

“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.