SCHEMBL22185239

SCHEMBL22185239

CCc1c(F)cc(Oc2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.47
▸ TSHR P16473 1/20 0.46
▸ RHEB Q15382 1/20 0.45
▸ PLA2G2A P14555 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ BAX Q07812 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
SCHEMBL22185410 0.78 LTA4H (0.52) LTA4HTSHRRHEBPLA2G2ANPC1
SCHEMBL17450532 0.74 FFAR4 (0.46) LTA4HTSHR
SCHEMBL22715551 0.74 RHEB (0.50) LTA4HTSHRRHEBMEN1KMT2A
SCHEMBL18957201 0.74 LTA4H (0.52) LTA4HTSHRRHEBPLA2G2ANPC1
SCHEMBL17882063 0.74 AKR1C2 (0.43) CRHBPCRHR2SLC6A4SMN1; SMN2L3MBTL1
Diphenylether SCHEMBL296590 0.73 LTA4H (0.75) LTA4HTSHRPLA2G2ANPC1RAB9A
SCHEMBL13073165 0.73 TAAR1 (0.63) KMT2AMAOB
SCHEMBL11990075 0.72 TP53 (0.41) LTA4HTSHRHPGDHTR2ASLC6A4
Diphenylether SCHEMBL23093711 0.71 LTA4H (0.71) LTA4HTSHRPLA2G2AMAOBNR1H2
SCHEMBL4336604 0.71 SOS1 (0.56) LTA4HTSHRPLA2G2ANPC1RAB9A

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-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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