SCHEMBL545206

SCHEMBL545206

O=[N+]([O-])c1cc(OCCN2CCCC2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.56
PTGS2 P35354 4/20 0.56
PTGS1 P23219 2/20 0.56
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HRH3 Q9Y5N1 3/20 0.50
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAPT P10636 1/20 0.43
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42

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
SCHEMBL30063063 1.00 LTA4H (0.56) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL30697141 0.89 RAB9A (0.48) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL16055917 0.89 RAB9A (0.48) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL30061908 0.85 ENPP2 (0.40) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL4833749 0.82 KDM4E (0.44) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL1264295 0.79 ALDH1A1 (0.41) ALDH1A1TDP1MAPT
SCHEMBL3155181 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL1603675 0.79 LMNA (0.49) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL14279323 0.79 MAPT (0.38) ALDH1A1TDP1MAPT
SCHEMBL13400004 0.78 ALDH1A1 (0.42) ALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 US disclosed
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 US disclosed
CN-115340552-A Heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-11-15 CN disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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 (3 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS LTA4H 324/4885PTGS2 73/4885PTGS1 38/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 LTA4H 4578/4885PTGS2 3639/4885PTGS1 3342/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 LTA4H 3830/4885PTGS2 1449/4885PTGS1 1342/4885

“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.