SCHEMBL6100503

SCHEMBL6100503

FC(F)(F)c1nnnn1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HTT P42858 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
CACNA1B Q00975 2/20 0.47
APBA1 Q02410 2/20 0.47
HSP90AA1 P07900 2/20 0.47
CCR6 P51684 1/20 0.46
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL2010483 0.82 ALDH1A1 (0.70) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL5549540 0.82 L3MBTL1 (0.52) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL5551503 0.82 ALDH1A1 (0.70) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL4408113 0.81 ALDH1A1 (0.68) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL27643287 0.78 ALDH1A1 (0.44) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL4216728 0.78 SMN1; SMN2 (0.55) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL24469790 0.78 HTT (0.44) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL27662347 0.78 ALDH1A1 (0.44) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL1971628 0.77 HPGD (0.49) ALDH1A1HTTMAPTHPGDCACNA1B
SCHEMBL12513443 0.76 TSHR (0.48) ALDH1A1HTTMAPTHPGDCACNA1B

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-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
US-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
CN-1466573-A 5-phenylbenzylamine compounds, process for their production and intermediates for their synthesis 田边制药株式会社 2004-01-07 CN disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 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-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885HTT 311/4885MAPT 651/4885
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B ALDH1A1 136/4885HTT 1251/4885MAPT 3253/4885

“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.