SCHEMBL3590426

SCHEMBL3590426

CC(C)(C)COc1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.52
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
NSD2 O96028 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12144437 0.89 AAK1 (0.55) AAK1ARL3MBTL1SLC6A4PTGDR2
SCHEMBL6688689 0.84 AAK1 (0.47) AAK1ARL3MBTL1SLC6A4SMN1; SMN2
SCHEMBL22544562 0.82 AAK1 (0.47) AAK1ARL3MBTL1SLC6A4PTGDR2
SCHEMBL18997072 0.81 MEN1 (0.43) AAK1POLBALDH1A1MEN1KMT2A
SCHEMBL18374450 0.80 MRGPRX4 (0.44) AAK1SLC6A4SMN1; SMN2KDM4ENPC1
SCHEMBL9936709 0.80 AAK1 (0.57) AAK1ARL3MBTL1PTGDR2SMN1; SMN2
SCHEMBL1509935 0.79 HPGD (0.51) AAK1L3MBTL1SLC6A4SMN1; SMN2HTT
SCHEMBL3587016 0.79 S1PR4 (0.48) AAK1SLC6A4PTGDR2
SCHEMBL17155600 0.79 AAK1 (0.62) AAK1
SCHEMBL20347961 0.79 ALOX5AP (0.42) AAK1KDM4EMAPK1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP 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-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR AAK1 1286/4885AR 143/4885L3MBTL1 3414/4885
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO AAK1 1888/4885AR 3786/4885L3MBTL1 744/4885

“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.