SCHEMBL20448486

SCHEMBL20448486

OC(c1ccc(Cl)cc1)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CNR1 P21554 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX5 P09917 1/20 0.35
HPGD P15428 2/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL5104539 0.85 ALOX5 (0.42) HTR1ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL18361615 0.82 CYP3A4 (0.46) HTR1ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL5518330 0.80 CFTR (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7320352 0.80 NR3C1 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL1426754 0.80 TSHR (0.50) TSHRMAPK1HIF1ATDP1HPGD
SCHEMBL477486 0.79 IDO1 (0.52) HTR1ASLC6A2SLC6A3TSHRMAPK1
SCHEMBL6746277 0.78 ACP3 (0.39) HTR1ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL14033982 0.78 TSHR (0.41) HTR1ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL20448672 0.76 HTR1A (0.38) HTR1ACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL17100208 0.74 IDO1 (0.45) HTR1ACYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS SELVITA S.A. (PL) 2018-09-20 US disclosed
EP-3356331-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS Selvita S.A. (PL) 2018-08-08 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 (1 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-20180265467-A1 PYRAZOLIDINE DERIVATIVES AND RELATED COMPOUNDS LDHB, LDHA, PDK1 HTR1A 2779/4885CYP3A4 97/4885CYP2D6 179/4885

“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.