SCHEMBL19083879

SCHEMBL19083879

CCC(C)(C)c1cnc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SCN9A Q15858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19083678 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL22809557 0.78 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL15599157 0.77 SMN1; SMN2 (0.39) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A
SCHEMBL14051590 0.76 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL17428846 0.76 SSTR4 (0.45) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A
SCHEMBL24599874 0.76 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL23419286 0.76 SCN9A (0.39) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL20910481 0.76 SCN9A (0.40) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A
SCHEMBL22809604 0.75 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL16770601 0.75 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A

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
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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 (2 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CYP1A2 330/4885CYP3A4 594/4885CYP2C19 565/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 CYP1A2 330/4885CYP3A4 594/4885CYP2C19 565/4885

“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.