SCHEMBL794861

SCHEMBL794861

[c]1nsc(Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CALM1 P0DP23 1/20 0.42
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ELANE P08246 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.33
ABL1 P00519 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL17028974 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRNPC1
SCHEMBL794716 0.68 ADORA3 (0.45) ALDH1A1KMT2ARAB9ANPC1POLB
SCHEMBL314856 0.68 ALDH1A1 (0.43) ALDH1A1CALM1KMT2AMEN1HDAC1
SCHEMBL2721150 0.65 ALDH1A1 (0.48) ALDH1A1CALM1KMT2AMEN1HDAC1
SCHEMBL25416061 0.64 ALDH1A1 (0.43) ALDH1A1CALM1KMT2AMEN1HDAC1
SCHEMBL11656196 0.64 ALDH1A1 (0.43) ALDH1A1CALM1KMT2AMEN1HDAC1
SCHEMBL919160 0.64 ALDH1A1 (0.43) ALDH1A1CALM1KMT2AMEN1HDAC1
SCHEMBL13801069 0.64 ALDH1A1 (0.52) ALDH1A1CALM1KMT2AMEN1HDAC1
SCHEMBL8649626 0.64 CALM1 (0.48) ALDH1A1CALM1KMT2AMEN1TSHR
Diphenylmethane SCHEMBL14763944 0.64 CALM1 (1.00) ALDH1A1CALM1LMNAHSD17B10TSHR

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-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
WO-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO 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 1345/4885CALM1 1219/4885KMT2A 814/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 ALDH1A1 1331/4885CALM1 1529/4885KMT2A 800/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 ALDH1A1 1480/4885CALM1 2010/4885KMT2A 699/4885

“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.