SCHEMBL4941415

SCHEMBL4941415

CCCCCCCCCCCCCCOc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.66
▸ CYP1A1 P04798 2/20 0.66
▸ CYP1B1 Q16678 2/20 0.66
▸ TP53 P04637 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ HDAC6 Q9UBN7 1/20 0.66
▸ THRB P10828 9/20 0.52
▸ THRA P10827 7/20 0.52
▸ LMNA P02545 2/20 0.46
▸ HRH2 P25021 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL4944007 0.74 MAPT (0.64) ALDH1A1CYP1A1CYP1B1TP53TSHR
SCHEMBL4940049 0.70 MAPT (0.69) ALDH1A1CYP1A1CYP1B1TP53TSHR
SCHEMBL13267821 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL9051335 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL10883551 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL13267786 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL8815472 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL15503219 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL17284859 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B
SCHEMBL2866720 0.69 TP53 (0.73) TP53TSHRTHRBTHRAPLA2G4B

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-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS GREIG NIGEL H 2008-12-25 — — US disclosed
US-20040067991-A1 Tetrahydrobenzothiazole analogues as neuroprotective agents GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2004-04-08 — — 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-20040067991-A1 Tetrahydrobenzothiazole analogues as neuroprotective agents BAX, BAD, BCL2 ALDH1A1 1031/4885CYP1A1 2492/4885CYP1B1 1165/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 ALDH1A1 1031/4885CYP1A1 2492/4885CYP1B1 1165/4885

“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.

Send feedback