SCHEMBL21628581

SCHEMBL21628581

CNC(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.46
SLC6A3 Q01959 1/20 0.42
RXRA P19793 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
PLK1 P53350 2/20 0.40
S1PR2 O95136 2/20 0.39
EZH2 Q15910 1/20 0.38
PDK2 Q15119 2/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
AXL P30530 2/20 0.38
MET P08581 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
SCHEMBL21628406 0.91 SLC6A2 (0.46) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL21628441 0.91 RXRA (0.41) SLC6A2SLC6A4RXRAMAPTKDM4E
SCHEMBL21656672 0.89 SLC6A2 (0.47) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL21656966 0.88 SLC6A2 (0.47) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL21656955 0.87 RXRA (0.42) SLC6A2SLC6A4HPGDTSHRRXRA
SCHEMBL21628823 0.87 RXRA (0.55) RXRA
SCHEMBL21628548 0.86 SLC6A4 (0.46) SLC6A2SLC6A4SMN1; SMN2SLC6A3RXRA
SCHEMBL21628708 0.85 HPGD (0.61) SLC6A2SLC6A4HPGDTSHRHTT
SCHEMBL21628880 0.84 SLC6A2 (0.49) SLC6A2SLC6A4HPGDSMN1; SMN2SLC6A3
SCHEMBL21628674 0.84 SLC6A2 (0.50) SLC6A2SLC6A4HPGDTSHRHTT

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-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (5 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SLC6A2 3104/4885SLC6A4 3517/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A2 2765/4885SLC6A4 3395/4885HPGD 2579/4885

“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.