SCHEMBL4797697

SCHEMBL4797697

Oc1cccc(-c2nc3cc(F)ccc3s2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.68
RAB9A P51151 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HSD17B10 Q99714 1/20 0.68
AHR P35869 1/20 0.56
APP P05067 5/20 0.55
SULT1A1 P50225 1/20 0.55
HSD17B1 P14061 4/20 0.50
HSD17B2 P37059 3/20 0.49
DYRK1A Q13627 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL4804942 0.83 APP (0.68) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL27897630 0.83 AHR (0.58) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL2248827 0.81 RAB9A (1.00) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL4809936 0.81 AHR (0.60) NFKB1RAB9ANFKB2RELATP53
SCHEMBL13806234 0.80 APP (0.77) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL11188660 0.80 AHR (0.56) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL5416199 0.78 TP53 (0.77) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL19174390 0.77 SMN1; SMN2 (0.58) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL19149020 0.77 AHR (0.49) NFKB1RAB9ANFKB2RELALMNA
SCHEMBL19149498 0.77 KDM4E (0.65) NFKB1RAB9ANFKB2RELATP53

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-7384966-B2 2-arylbenzothiazole derivatives PHARMINXO LIMITED (GB) 2008-06-10 US disclosed
US-20060063816-A1 2-Arylbenzothiazole derivatives STEVENS MALCOLM F G 2006-03-23 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 (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-20060063816-A1 2-Arylbenzothiazole derivatives CX3CR1, HCN2, CYBB NFKB1 2720/4885RAB9A 1419/4885NFKB2 1856/4885

“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.