SCHEMBL796085

SCHEMBL796085

[c]1nnc(Cc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CALM1 P0DP23 1/20 0.42
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
ABL1 P00519 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9102585 0.82 ATM (0.49) ALDH1A1HSD17B10TSHRLMNAKMT2A
SCHEMBL17028848 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRLMNANPC1
SCHEMBL1091462 0.74 IDO1 (0.39) ALDH1A1LMNAKMT2ANPC1RAB9A
SCHEMBL11446805 0.68 LMNA (0.46) ALDH1A1HSD17B10TSHRLMNAKMT2A
SCHEMBL919160 0.68 ALDH1A1 (0.43) ALDH1A1CALM1HSD17B10TSHRLMNA
SCHEMBL2721150 0.65 ALDH1A1 (0.48) ALDH1A1CALM1HSD17B10TSHRLMNA
SCHEMBL31201618 0.65 ALDH1A1 (0.63) ALDH1A1CALM1HSD17B10TSHRLMNA
SCHEMBL6489017 0.64
SCHEMBL12993518 0.64 HDAC6 (0.63) ALDH1A1CALM1HSD17B10TSHRLMNA
SCHEMBL314856 0.64 ALDH1A1 (0.43) ALDH1A1CALM1HSD17B10TSHRLMNA

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 12 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
EP-2464368-A1 CATHEPSIN C INHIBITORS Glaxo Group Limited (GB) 2012-06-20 EP disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 WO disclosed
EP-0478974-B1 N-Heteroaryl-2-nitroanilines BASF AG (DE) 1995-12-27 EP disclosed
US-5298515-A N-hetaryl-2-nitroanilines BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0478974-A1 N-Heteroaryl-2-nitroanilines BASF Aktiengesellschaft (DE) 1992-04-08 EP 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-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 ALDH1A1 1345/4885CALM1 1219/4885HSD17B10 3464/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 ALDH1A1 1331/4885CALM1 1529/4885HSD17B10 3333/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 ALDH1A1 1480/4885CALM1 2010/4885HSD17B10 2696/4885
US-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS ALDH1A1 1109/4885CALM1 1687/4885HSD17B10 1753/4885

“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.