SCHEMBL19699786

SCHEMBL19699786

CCCOc1cccc(F)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL18122098 0.91 CYP1A2 (0.58) MCHR1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL7928280 0.88 MCHR1 (0.58) MCHR1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL17887304 0.85 L3MBTL1 (0.55) L3MBTL1CYP1A2CYP2C19KDM4EGAA
SCHEMBL2061557 0.84 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL30967549 0.81 CYP1A2 (0.58) MCHR1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL11261747 0.81 CYP1A2 (0.58) MCHR1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL8216509 0.81 L3MBTL1 (0.50) MCHR1L3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL9868970 0.81 HTR1B (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL29635826 0.80 L3MBTL1 (0.69) L3MBTL1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL255561 0.80 L3MBTL1 (0.69) L3MBTL1CYP1A2CYP2C19CYP2C9KDM4E

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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES ZC3HAV1, DHX15, AZI2 MCHR1 3133/4885L3MBTL1 3002/4885CYP1A2 1359/4885

“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.