SCHEMBL17069232

SCHEMBL17069232

CC(C)Cc1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.40
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ PKLR P30613 1/20 0.35
▸ DDR1 Q08345 1/20 0.34
▸ GABRB3 P28472 4/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ GABRA2 P47869 3/20 0.33
▸ GABRB2 P47870 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL2925876 0.80 PDE2A (0.36) PDE2ASMN1; SMN2PKMPKLRDDR1
SCHEMBL12886699 0.80 GABRB3 (0.42) PDE2ASMN1; SMN2PKMPKLRDDR1
SCHEMBL24018795 0.79 KCNH2 (0.37) PDE2ASLC6A4SMN1; SMN2PKMPKLR
SCHEMBL17069208 0.78 ALOX15 (0.33) SMN1; SMN2PTGS2GABRB2PTGS1KDM4E
SCHEMBL17062134 0.78 PKM (0.38) PDE2APKMPKLRDDR1GABRB3
SCHEMBL18682073 0.77 GABRA2 (0.46) PKMPKLRDDR1GABRB3GABRA2
SCHEMBL17069243 0.77 SLC6A4 (0.52) PDE2ASLC6A2SLC6A4HTR2AHTR2C
SCHEMBL18682189 0.77 PDE2A (0.53) PDE2ASLC6A2SLC6A4HTR2AHTR2C
SCHEMBL16771000 0.77 ALDH1A1 (0.38) PDE2ASMN1; SMN2PKMPKLRDDR1
SCHEMBL147630 0.77 PKM (0.35) PDE2APKMPKLRDDR1GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 — — US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 — — US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 — — US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 PDE2A 573/4885SLC6A2 1283/4885SLC6A4 1222/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 PDE2A 444/4885SLC6A2 1679/4885SLC6A4 1432/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR PDE2A 1204/4885SLC6A2 927/4885SLC6A4 661/4885

“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.

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