SCHEMBL1264401

SCHEMBL1264401

O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
LTA4H P09960 4/20 0.51
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
MASP2 O00187 1/20 0.48
F2 P00734 1/20 0.48
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4682260 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL959211 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL545534 0.82 RXFP1 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL15567163 0.82 LTA4H (0.60) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4515724 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2324766 0.81 MEN1 (0.57) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL13398630 0.80 ALDH1A1 (0.78) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11809063 0.79 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL19175209 0.79 MASP2 (0.51) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL3451299 0.79 MASP2 (0.51) ALDH1A1MEN1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-08-18 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 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 (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-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K ALDH1A1 4013/4885KDM4E 857/4885MEN1 3830/4885
US-20110201602-A1 PROTEIN KINASE MODULATORS AND METHOD OF USE GRK4, MAP4K5, GRK5 ALDH1A1 3475/4885KDM4E 716/4885MEN1 4014/4885

“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.