SCHEMBL6263299

SCHEMBL6263299

O=C(NC1CCc2ccc([N+](=O)[O-])cc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM1A O60341 1/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PNMT P11086 3/20 0.39
ADRA2A P08913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL5969938 0.83 CA12 (0.51) KMT2AMEN1HSP90AA1CHRNB2CHRNB4
SCHEMBL31277918 0.80 PDE10A (0.47) KMT2AHTR1ADRD2KCNH2NQO2
SCHEMBL4872932 0.80 DRD2 (0.52) KMT2AMEN1HSP90AA1DRD2CHRNB2
SCHEMBL8019874 0.80 KDM1A (0.49) HTR1AKDM1APNMTADRA2AALDH1A1
SCHEMBL10155714 0.80 HSP90AA1 (0.44) KMT2AMEN1HSP90AA1CHRNB2CHRNB4
SCHEMBL6260142 0.79 HTR1A (0.43) HTR1ADRD2KCNH2NQO2MTNR1A
SCHEMBL484623 0.78 HTR1A (0.43) HTR1ADRD2KCNH2NQO2MTNR1A
SCHEMBL18221710 0.77 HTR1A (0.42) HTR1ADRD2KCNH2NQO2MTNR1A
SCHEMBL9630654 0.76 MTNR1A (0.65) KDM1ANQO2MTNR1AMTNR1B
SCHEMBL599005 0.76 MTNR1A (0.57) KMT2AMEN1MTNR1AMTNR1BALDH1A1

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 KMT2A 3723/4885MEN1 2240/4885HSP90AA1 4588/4885

“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.