SCHEMBL22185410

SCHEMBL22185410

Cc1c(F)cc(Oc2ccccc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.52
▸ TSHR P16473 1/20 0.52
▸ RHEB Q15382 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ BAX Q07812 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ PLA2G2A P14555 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
SCHEMBL257979 0.82 MRGPRX1 (0.44) —
SCHEMBL15075246 0.79 LTA4H (0.48) LTA4HTSHRMAOBNR1H2BAX
SCHEMBL18956930 0.79 MEN1 (0.44) LTA4HTSHRRHEBMEN1NPC1
SCHEMBL21119447 0.79 CYP3A4 (0.47) TSHRMEN1KMT2A
SCHEMBL18957201 0.78 LTA4H (0.52) LTA4HTSHRRHEBMEN1NPC1
SCHEMBL22185239 0.78 LTA4H (0.47) LTA4HTSHRRHEBMEN1NPC1
SCHEMBL12925863 0.77 LTA4H (0.57) LTA4HTSHRMEN1NPC1RAB9A
SCHEMBL22199173 0.76 SLC6A4 (0.44) LTA4HTSHR
SCHEMBL4336604 0.76 SOS1 (0.56) LTA4HTSHRMEN1NPC1RAB9A
SCHEMBL6545667 0.75 LTA4H (0.80) LTA4HTSHRMEN1NPC1RAB9A

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
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

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 LTA4H 1969/4885TSHR 4227/4885RHEB 1770/4885

“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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