SCHEMBL2098484

SCHEMBL2098484

CN1CCN(c2ccc(-c3nc4ccc(NC(=O)C(F)(F)F)cc4s3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
APP P05067 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DYRK1A Q13627 1/20 0.45
AURKA O14965 1/20 0.44
FLT4 P35916 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
DGAT1 O75907 1/20 0.43
SOAT1 P35610 1/20 0.43

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
SCHEMBL4168710 0.89 RAB9A (0.51) TP53APPSMN1; SMN2RAB9AKDM4E
SCHEMBL2055196 0.89 KDM4E (0.56) APPSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL27756633 0.87 NPC1 (0.52) TP53APPSMN1; SMN2RAB9AKDM4E
SCHEMBL2055262 0.84 MAPT (0.56) TP53APPSMN1; SMN2RAB9AKDM4E
SCHEMBL2055261 0.83 APP (0.56) APPAURKAFLT4MAPTSULT1A1
SCHEMBL2055190 0.83 AURKA (0.46) TP53APPSMN1; SMN2RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL2099048 0.83 APP (0.45) TP53APPSMN1; SMN2RAB9AKDM4E
SCHEMBL2055257 0.81 NFKB1 (0.53) TP53APPSMN1; SMN2RAB9AKDM4E
SCHEMBL5138921 0.81 KDM4E (0.44) TP53APPRAB9AKDM4ENPC1
Hydrochloric Acid SCHEMBL2099947 0.80 NFKB1 (0.52) TP53APPSMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 TP53 3053/4885APP 1/4885SMN1; SMN2 1164/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 TP53 2392/4885APP 2/4885SMN1; SMN2 1170/4885

“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.