SCHEMBL1095940

SCHEMBL1095940

Brc1ccc2nc(N3CCC[C@H](N4CCCC4)C3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.70
NPC1 O15118 10/20 0.70
MAPT P10636 3/20 0.70
ALDH1A1 P00352 2/20 0.70
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 5/20 0.53
HRH3 Q9Y5N1 7/20 0.49
KCNH2 Q12809 1/20 0.46
STAT3 P40763 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
NFKB2 Q00653 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
SCHEMBL1096443 1.00 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1095942 1.00 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1095463 0.99 RAB9A (0.68) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1094821 0.99 RAB9A (0.68) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1095819 0.99 RAB9A (0.68) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1095461 0.99 RAB9A (0.68) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1095389 0.99 RAB9A (0.68) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1095211 0.98 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1094648 0.98 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL1094645 0.98 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US claimed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 US disclosed
US-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-06-28 US disclosed
US-8153813-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBOTT LABORATORIES (US) 2012-04-10 US disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 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-20120164070-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 RAB9A 4401/4885NPC1 2712/4885MAPT 2328/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 RAB9A 4401/4885NPC1 2712/4885MAPT 2328/4885

“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.