SCHEMBL22185409

SCHEMBL22185409

CCc1cccc(Oc2ccccc2)c1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.50
SLC6A2 P23975 3/20 0.50
RIPK1 Q13546 1/20 0.50
HRH1 P35367 1/20 0.47
HTR2A P28223 1/20 0.46
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.41
SLC6A3 Q01959 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL13687729 0.84 HRH1 (0.58) SLC6A4SLC6A2RIPK1HRH1HTR2A
SCHEMBL327806 0.83 SLC6A4 (0.63) SLC6A4SLC6A2RIPK1HRH1HTR2A
SCHEMBL11387994 0.82 HRH1 (0.47) SLC6A4SLC6A2RIPK1HRH1HTR2A
Hydrochloric Acid SCHEMBL921538 0.82 HRH1 (0.56) SLC6A4SLC6A2RIPK1HRH1HTR2A
SCHEMBL27854361 0.81 CXCL8 (0.58) HRH1GAA
Hydrogen Sulfide SCHEMBL28150140 0.81 SLC6A4 (0.61) SLC6A4SLC6A2RIPK1HRH1HTR2A
SCHEMBL8621202 0.80 HRH1 (0.43) SLC6A4SLC6A2RIPK1HRH1HTR2A
SCHEMBL9719836 0.79 GABRA1 (0.55) SLC6A4SLC6A2RIPK1HRH1HTR2A
SCHEMBL28156480 0.79 HRH1 (0.51) SLC6A4SLC6A2RIPK1HRH1LMNA
SCHEMBL18313564 0.78 AR (0.51) SLC6A4SLC6A2RIPK1HRH1HTR2A

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 SLC6A4 4679/4885SLC6A2 4593/4885RIPK1 3357/4885

“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.