SCHEMBL795459

SCHEMBL795459

CCc1[c]n(-c2ccccc2)nn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
SHMT2 P34897 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 2/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 2/20 0.33
MAOA P21397 1/20 0.33
NR4A3 Q92570 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRNA7 P36544 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
ELANE P08246 1/20 0.31
SLC9A1 P19634 1/20 0.31

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
SCHEMBL794810 0.75 MEN1 (0.38) ALDH1A1L3MBTL1TP53ALOX12MAPK1
SCHEMBL3938152 0.69 NPC1 (0.38) ALDH1A1L3MBTL1MAPK1NOTUMKMT2A
SCHEMBL729042 0.63 KDM4E (0.41) ALDH1A1SHMT2L3MBTL1TP53MAPK1
SCHEMBL794740 0.63 LMNA (0.39) ALDH1A1SHMT2L3MBTL1TP53MAPK1
SCHEMBL4407303 0.60 HPGD (0.57) ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3777938 0.60 NOTUM (0.68) L3MBTL1NOTUMMAOA
SCHEMBL156901 0.60 HTT (0.60) ALDH1A1L3MBTL1MEN1KMT2ATSHR
Bromide SCHEMBL1882333 0.59 NOTUM (0.66) L3MBTL1NOTUMMAOA
SCHEMBL796343 0.59 ALDH1A1 (0.35) ALDH1A1SHMT2L3MBTL1TP53MAPK1
SCHEMBL8621188 0.58 ALDH1A1 (0.49) ALDH1A1L3MBTL1TP53ALOX12MAPK1

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-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 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-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 ALDH1A1 1345/4885SHMT2 1384/4885L3MBTL1 2367/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 ALDH1A1 1331/4885SHMT2 1417/4885L3MBTL1 2339/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 ALDH1A1 1480/4885SHMT2 700/4885L3MBTL1 2553/4885

“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.