SCHEMBL1680248

SCHEMBL1680248

Cc1nn(-c2cccnc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALKBH1 Q13686 1/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.45
NAMPT P43490 2/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL12606911 0.87 NPC1 (0.46) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL30140734 0.87 NPC1 (0.46) NPC1RAB9AMAPK1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1780811 0.86 NPC1 (0.46) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL12606919 0.85 NPC1 (0.45) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL4298023 0.84 ALDH1A1 (0.59) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL1680448 0.82 NPC1 (0.66) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL24377736 0.82 ALDH1A1 (0.49) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL16917369 0.82 ALDH1A1 (0.49) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL29569829 0.82 ALDH1A1 (0.49) NPC1RAB9AMAPK1ALDH1A1KDM4E
SCHEMBL21724292 0.82 MAPK1 (0.53) NPC1RAB9AMAPK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084990-A1 METHODS FOR THE PREPARATION OF PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND INTERMEDIATES USED THEREIN ADAMA MAKHTESHIM LTD. (IL) 2022-04-28 WO disclosed
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP disclosed
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP disclosed
US-20130338367-A1 PYRAZOLE DERIVATIVES AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-12-19 US disclosed
EP-2674423-A1 PYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2013-12-18 EP disclosed
US-8536204-B2 Amides and thioamides as pesticides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
US-8536204-B2 Amides and thioamides as pesticides BAYER CROPSCIENCE AG (DE) 2013-09-17 US disclosed
EP-2488510-A1 AMIDES AND THIOAMIDES AS PESTICIDES Bayer CropScience AG (DE) 2012-08-22 EP disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2011045240-A1 AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed
WO-2011045240-A1 AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-04-21 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 (2 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-20130338367-A1 PYRAZOLE DERIVATIVES AND PESTICIDES CHRM1, CHRM2, CHRM3 NPC1 2723/4885RAB9A 310/4885MAPK1 2047/4885
US-20110118290-A1 Novel Amides and Thioamides as Pesticides NAAA, AADAC, PTMS NPC1 4459/4885RAB9A 1360/4885MAPK1 4736/4885

“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.