SCHEMBL12180304

SCHEMBL12180304

COCCOc1cc(F)c(C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.41
KIF5B P33176 1/20 0.41
FLT1 P17948 6/20 0.41
KDR P35968 6/20 0.41
FGFR1 P11362 5/20 0.41
HTR2A P28223 6/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
FLT4 P35916 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8256560 1.00 RET (0.41) RETKIF5BFLT1KDRFGFR1
SCHEMBL16173474 0.85 HTR2A (0.46) RETKIF5BFLT1KDRFGFR1
SCHEMBL29467973 0.85 L3MBTL1 (0.35) RETKIF5BFLT1KDRFGFR1
SCHEMBL13096059 0.84 TUBB1 (0.43) HTR2AL3MBTL1SMN1; SMN2EGFRMAPT
SCHEMBL8251250 0.82 ACHE (0.42) SMN1; SMN2EGFRMAPTMEN1ALDH1A1
SCHEMBL20925174 0.82 EGFR (0.35) RETKIF5BFLT1KDRFGFR1
SCHEMBL13096057 0.81 KDM4E (0.44) HTR2ASMN1; SMN2MAPTMAPK1
SCHEMBL8257612 0.81 FLT1 (0.40) RETKIF5BFLT1KDRFGFR1
SCHEMBL28828150 0.79 TAAR1 (0.46) L3MBTL1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL22211455 0.78 AR (0.40) HTR2AL3MBTL1SMN1; SMN2MAPTHPGD

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
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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 (3 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 RET 1896/4885KIF5B 2499/4885FLT1 3911/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 RET 1896/4885KIF5B 2499/4885FLT1 3911/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 RET 4161/4885KIF5B 3135/4885FLT1 4806/4885

“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.