SCHEMBL18319356

SCHEMBL18319356

NNc1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.49
CACNA1H O95180 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40
MAPK14 Q16539 1/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGS1 P23219 1/20 0.39
ADRA2C P18825 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL30490052 0.83 MAPT (0.49) CACNA1BL3MBTL1ALDH1A1POLBTDP1
SCHEMBL30490053 0.83 MAPT (0.49) CACNA1BL3MBTL1ALDH1A1POLBTDP1
SCHEMBL7410783 0.83 RXFP1 (0.47) L3MBTL1ALDH1A1POLBTDP1RAB9A
SCHEMBL28638978 0.82 L3MBTL1 (0.52) CACNA1BL3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL2000120 0.80 TSHR (0.58) L3MBTL1ALDH1A1POLBTDP1TSHR
Hydrochloric Acid SCHEMBL4382625 0.78 TSHR (0.56) L3MBTL1ALDH1A1POLBTDP1TSHR
SCHEMBL18319346 0.77 HTR2A (0.50) L3MBTL1ALDH1A1POLBTDP1MAPT
SCHEMBL30490051 0.77 HTR2A (0.50) L3MBTL1ALDH1A1TDP1MAPTKDM4E
SCHEMBL18319286 0.77 HTR2A (0.50) L3MBTL1ALDH1A1TDP1MAPTKDM4E
SCHEMBL30490050 0.77 SLC6A2 (0.46) L3MBTL1ALDH1A1POLBTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112343-B1 AMIDE DERIVATIVES UNIV TOHOKU (JP) 2023-03-29 EP disclosed
US-11040937-B2 Amide derivative TOHOKU UNIVERSITY (JP) 2021-06-22 US disclosed
EP-3112343-A1 AMIDE DERIVATIVES Tohoku University (JP) 2017-01-04 EP disclosed
US-20160368860-A1 AMIDE DERIVATIVE TOHOKU UNIVERSITY (JP) 2016-12-22 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 (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-20160368860-A1 AMIDE DERIVATIVE ARG1, PTMS, MLX CACNA1B 2096/4885CACNA1H 3522/4885L3MBTL1 2587/4885
US-11040937-B2 Amide derivative ARG1, PTMS, MLX CACNA1B 2096/4885CACNA1H 3522/4885L3MBTL1 2587/4885

“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.