SCHEMBL1421836

SCHEMBL1421836

CCOc1cc(OCC)nc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.38
PDE2A O00408 2/20 0.37
KRAS P01116 2/20 0.36
SOS1 Q07889 2/20 0.36
NQO1 P15559 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 2/20 0.34
MAPK8 P45983 1/20 0.34
TP53 P04637 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
GABRP O00591 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
SCHEMBL13012202 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL21494963 0.85 ALDH1A1 (0.38) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL13267964 0.85 NOS3 (0.38) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL10854375 0.83 SMN1; SMN2 (0.38) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL22681208 0.82 KRAS (0.36) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL13248471 0.82 HMGCR (0.36) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3825486 0.80 MEN1 (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4469982 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL6336311 0.78 ALDH1A1 (0.41) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL9432444 0.78 KDM4E (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 EP claimed
EP-2297130-B1 NEW HETEROAROMATIC AMIDES AND THIOAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2014-09-17 EP claimed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 EP disclosed
US-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-06-15 US disclosed
EP-2725022-B1 New amides as pest control agents BAYER CROPSCIENCE AG (DE) 2017-03-29 EP disclosed
US-9567318-B2 Substituted pyrimidine compounds and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-02-14 US disclosed
EP-2730569-B1 New amides and thioamides as pest control agents BAYER CROPSCIENCE AG (DE) 2016-11-30 EP disclosed
US-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2016-11-03 US disclosed
US-9428487-B2 Heteroaromatic amides and thioamides as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-30 US disclosed
EP-2297130-B1 NEW HETEROAROMATIC AMIDES AND THIOAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2014-09-17 EP disclosed
EP-2730568-A1 NEW HETEROAROMATIC AMIDES AND THIOAMIDES AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2014-05-14 EP disclosed
US-20110118290-A1 Novel Amides and Thioamides as Pesticides BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
US-20110098287-A1 Novel Heteroaromatic Amides And Thioamides As Pesticides BAYER CROPSCIENCE AG (DE) 2011-04-28 US disclosed
EP-2297130-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES Bayer CropScience AG (DE) 2011-03-23 EP disclosed
US-20100317524-A1 Sulfonylureas BAYER CROPSCIENCE AG (DE) 2010-12-16 US disclosed
US-20100317524-A1 Sulfonylureas BAYER CROPSCIENCE AG (DE) 2010-12-16 US disclosed
WO-2009149858-A1 NOVEL HETEROAROMATIC AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2009-12-17 WO disclosed
US-7414011-B2 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (US) 2008-08-19 US disclosed
US-7414011-B2 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (US) 2008-08-19 US disclosed
EP-1153016-B1 PHENYLSULFONYL UREAS, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-09-05 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 (5 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-20160316755-A1 Novel Heteroaromatic Amides and Thioamides as Pesticides AADAC, DDT, TST SMN1; SMN2 4497/4885NPC1 4582/4885ALDH1A1 2960/4885
US-20100317524-A1 Sulfonylureas IAPP, SLC5A2, SLC5A1 SMN1; SMN2 1174/4885NPC1 1114/4885ALDH1A1 1343/4885
US-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 SMN1; SMN2 270/4885NPC1 2801/4885ALDH1A1 864/4885
US-20110098287-A1 Novel Heteroaromatic Amides And Thioamides As Pesticides AADAC, DDT, TST SMN1; SMN2 4497/4885NPC1 4582/4885ALDH1A1 2960/4885
US-20110118290-A1 Novel Amides and Thioamides as Pesticides NAAA, AADAC, PTMS SMN1; SMN2 3729/4885NPC1 4459/4885ALDH1A1 2966/4885

“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.