SCHEMBL6277987

SCHEMBL6277987

C#CCNC1([N+](=O)[O-])CCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.34
MAOA P21397 4/20 0.34
KDM1A O60341 2/20 0.34
BCHE P06276 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ACHE P22303 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR6 P50406 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
MAPT P10636 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL7341859 0.76 MAOB (0.38) MAOBMAOAKDM1ABCHEADRA2B
SCHEMBL7947368 0.73 MAOB (0.41) MAOBMAOAKDM1ABCHEADRA2B
SCHEMBL5807645 0.73 KDM1A (0.40) MAOBMAOAKDM1ABCHEADRA2B
SCHEMBL4348712 0.73 MAOB (0.38) MAOBMAOAKDM1ABCHEADRA2B
SCHEMBL1051970 0.68 MAOB (0.39) MAOBMAOAKDM1ABCHEADRA2B
SCHEMBL16192661 0.67 HDAC9 (0.35) MAOBMAOASIGMAR1HDAC9ALDH1A1
SCHEMBL9434726 0.65 KDM1A (0.40) MAOBKDM1ASIGMAR1HDAC9TSHR
SCHEMBL27967814 0.64 KDM1A (0.39) MAOBMAOAKDM1ASIGMAR1TSHR
SCHEMBL14860973 0.64 KDM1A (0.38) MAOBMAOAKDM1ABCHEADRA2B
SCHEMBL30367641 0.63 SIGMAR1 (0.47) KDM1ASIGMAR1ALDH1A1

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
WO-2005084205-A2 DIAMINO THIAZOLOINDAN DERIVATIVES AND THEIR USE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-09-15 WO disclosed
US-20050197365-A1 Diamino thiazoloindan derivatives and their use TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-09-08 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 (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-20050197365-A1 Diamino thiazoloindan derivatives and their use RTN3, RTN4, DRD4 MAOB 174/4885MAOA 207/4885KDM1A 4198/4885

“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.