SCHEMBL19083678

SCHEMBL19083678

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 3/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 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
SCHEMBL19083879 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL19075640 0.85 SCN9A (0.42) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL19075588 0.81 CYP2C19 (0.39) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL22809557 0.81 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL17428846 0.80 SSTR4 (0.45) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A
SCHEMBL22809604 0.79 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL10331371 0.78 CYP2C19 (0.44) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL15599157 0.77 SMN1; SMN2 (0.39) CYP1A2CYP3A4CYP2C19SMN1; SMN2KMT2A
SCHEMBL19075622 0.77 SCN9A (0.43) CYP1A2CYP3A4CYP2C19
SCHEMBL19430888 0.77 LMNA (0.41) CYP1A2CYP3A4CYP2C19RAB9ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203572-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2021-12-21 US disclosed
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210155588-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-27 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
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 (7 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-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 CYP1A2 330/4885CYP3A4 594/4885CYP2C19 565/4885
US-20190031607-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
US-20210155588-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 CYP1A2 69/4885CYP3A4 149/4885CYP2C19 179/4885
US-11203572-B2 Substituted benzamides and methods of use thereof BRIX1, RDX, RRM1 CYP1A2 69/4885CYP3A4 149/4885CYP2C19 179/4885
US-20210078947-A1 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.