SCHEMBL2696901

SCHEMBL2696901

CC(C)(C)NC(=O)c1nocc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.36
RIPK1 Q13546 1/20 0.36
PTGS2 P35354 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
EPHX1 P07099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 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
SCHEMBL933947 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8957108 0.84 DPP4 (0.34) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8308653 0.76 RIPK1 (0.34) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL158855 0.76 POLB (0.40) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8595148 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDTSHRPTGS2
SCHEMBL8957126 0.75 NPC1 (0.42) ALDH1A1KDM4ETSHRPOLBAPEX1
SCHEMBL7451898 0.72 KDM4E (0.40) ALDH1A1KDM4EHPGDGAATSHR
SCHEMBL8305864 0.72 KDM4E (0.33) ALDH1A1KDM4EHPGDGAARIPK1
SCHEMBL9278686 0.71 IKBKB (0.36) ALDH1A1KDM4EHPGDTSHRPTGS2
SCHEMBL9567818 0.71 PTGS2 (0.34) ALDH1A1KDM4EHPGDTSHRPTGS2

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
US-8710056-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2014-04-29 US disclosed
EP-2451808-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2014-03-26 EP disclosed
US-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests BASF SE (DE) 2012-05-03 US disclosed
EP-0638074-B1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AG (DE) 1999-03-31 EP disclosed
US-5576270-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed
EP-0638074-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF Aktiengesellschaft (DE) 1995-02-15 EP disclosed
WO-1993022295-A1 ISOXAZOLE CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 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 (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-20120110705-A1 Pyridazine Compounds for Controlling Invertebrate Pests CNR2, GRIN2C, GRIN2A ALDH1A1 2558/4885KDM4E 3229/4885HPGD 930/4885

“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.