SCHEMBL21792129

SCHEMBL21792129

NNC(=O)c1cc(C2CC2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.44
CNR1 P21554 2/20 0.44
PTPN5 P54829 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CES2 O00748 1/20 0.41
CCR2 P41597 5/20 0.40
KCNH2 Q12809 3/20 0.40
CACNA1I Q9P0X4 1/20 0.40
TACR1 P25103 1/20 0.40
NOTUM Q6P988 1/20 0.39
USP5 P45974 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL21792328 0.87 RAF1 (0.41) ALDH1A1LMNAMAPTGAACES2
SCHEMBL28524017 0.83 PTPN5 (0.47) GAACNR1PTPN5CES2NOTUM
SCHEMBL3277286 0.82 GAA (0.61) ALDH1A1LMNAMAPTGAACES2
SCHEMBL29565302 0.81 CNR1 (0.47) CNR1PTPN5CES2CCR2KCNH2
SCHEMBL21609790 0.81 CNR1 (0.47) CNR1PTPN5CES2CCR2KCNH2
SCHEMBL21609867 0.80 NPSR1 (0.42) GAACNR1PTPN5CCNA2CDK2
SCHEMBL16729325 0.79 NOTUM (0.59) ALDH1A1LMNAGAACNR1CES2
SCHEMBL29565141 0.79 NOTUM (0.59) ALDH1A1LMNAGAACNR1CES2
Hydrochloric Acid SCHEMBL8507302 0.77 GAA (0.41) GAACNR1PTPN5CCNA2CDK2
SCHEMBL15542726 0.76 GAA (0.50) ALDH1A1LMNAMAPTGAACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 ALDH1A1 1260/4885LMNA 2507/4885MAPT 1431/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT ALDH1A1 658/4885LMNA 1919/4885MAPT 315/4885

“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.