SCHEMBL3042201

SCHEMBL3042201

COC(=O)c1cccc(C(=O)NNC(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 4/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
TACR1 P25103 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CTSK P43235 2/20 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
SCHEMBL27337757 0.86 KMT2A (0.69) ALDH1A1RAB9ALOXL2HPGDKDM4E
SCHEMBL4724265 0.81 HIF1A (0.55) ALDH1A1RAB9ALOXL2HPGDKDM4E
SCHEMBL18038356 0.79 SMN1; SMN2 (0.57) ALDH1A1RAB9ALOXL2KDM4EMAPT
SCHEMBL6669062 0.79 RAB9A (0.75) ALDH1A1RAB9ALOXL2HPGDKDM4E
SCHEMBL8089164 0.78 TACR1 (0.59) ALDH1A1TACR1CTSK
SCHEMBL312910 0.77 TDP1 (0.81) ALDH1A1RAB9AHPGDKDM4EMAPT
SCHEMBL27695472 0.77 LOXL2 (0.56) ALDH1A1RAB9ALOXL2HPGDKDM4E
SCHEMBL27711398 0.77 L3MBTL1 (0.60) ALDH1A1RAB9ALOXL2HPGDKDM4E
SCHEMBL2295789 0.77 CA12 (0.66) ALDH1A1RAB9ALMNANPC1SLC6A2
SCHEMBL6667451 0.77 LOXL2 (0.64) ALDH1A1RAB9ALOXL2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-7423036-B2 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-7405232-B2 Long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-29 US disclosed
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US disclosed
US-20050197374-A1 New long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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 (4 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-20050197374-A1 New long acting beta-2 agonists and their use as medicaments ADRB2, ADRA2A, ADRA2C ALDH1A1 1938/4885RAB9A 3247/4885LOXL2 862/4885
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints ADRA1A, ADRA1D, ADRA2A ALDH1A1 840/4885RAB9A 2109/4885LOXL2 3877/4885
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 ALDH1A1 189/4885RAB9A 2320/4885LOXL2 3695/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 ALDH1A1 355/4885RAB9A 1903/4885LOXL2 2782/4885

“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.