SCHEMBL4942644

SCHEMBL4942644

N=c1sc2c(n1CC(=O)Oc1ccc(Cl)cc1)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ CYP1A1 P04798 2/20 0.53
▸ CYP1B1 Q16678 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ LIPE Q05469 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL4940049 0.88 MAPT (0.69) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL4940475 0.86 KMT2A (0.51) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL3863610 0.75 ALDH1A1 (0.60) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL4941189 0.74 MAPT (0.76) KMT2ATP53MAPTCYP1A1CYP1B1
Bromide SCHEMBL3863605 0.74 CYP1A1 (0.60) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL13650863 0.72 ALDH1A1 (0.60) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL13650898 0.71 MEN1 (0.69) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL4941971 0.71 ALDH1A1 (0.77) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL158627 0.69 KMT2A (1.00) KMT2ATP53MAPTCYP1A1CYP1B1
SCHEMBL4942836 0.69 ALDH1A1 (0.77) KMT2ATP53MAPTCYP1A1CYP1B1

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 KMT2A 3909/4885TP53 867/4885MAPT 240/4885
US-20080319032-A1 TETRAHYDROBENZOTHIAZOLE ANALOGUES AS NEUROPROTECTIVE AGENTS BAX, BAD, BCL2 KMT2A 3909/4885TP53 867/4885MAPT 240/4885

“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.

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