SCHEMBL961576

SCHEMBL961576

Cc1ncnn1-c1c(F)cc([N+](=O)[O-])cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
S1PR4 O95977 1/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
GRK5 P34947 1/20 0.35
LIMK1 P53667 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 7/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MITF O75030 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL367990 0.81 MAPT (0.47) TSHRS1PR4MAPTTHRBALDH1A1
SCHEMBL3757819 0.73 MAPT (0.54) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL20265733 0.71 ALDH1A1 (0.40) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL965230 0.70 TSHR (0.38) TSHRS1PR4CHEK1DAPK3GRK5
SCHEMBL2253987 0.70 TSHR (0.38) TSHRS1PR4CHEK1DAPK3GRK5
SCHEMBL29864611 0.70 PTGS1 (0.47) TSHRCHEK1DAPK3GRK5LIMK1
SCHEMBL20265527 0.70 HSD17B10 (0.46) MAPTALDH1A1LMNAHTTKMT2A
SCHEMBL8467266 0.68 TSHR (0.56) TSHRMAPTALDH1A1HIF1ALMNA
SCHEMBL511979 0.68 HTT (0.49) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL10153123 0.68 ALDH1A1 (0.49) TSHRMAPTALDH1A1LMNAHTT

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
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 TSHR 4632/4885S1PR4 4258/4885CHEK1 4705/4885

“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.