SCHEMBL976753

SCHEMBL976753

Cc1nc2ncnn2c(N2CCCCC2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
PAX2 Q02962 1/20 0.44
TSHR P16473 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.39
PDE2A O00408 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL973868 0.90 ALDH1A1 (0.45) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL976406 0.88 LMNA (0.47) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL4819802 0.86 LMNA (0.36) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL974960 0.86 LMNA (0.36) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL14410614 0.85 PAX2 (0.47) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL5593192 0.83 PAX2 (0.43) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL14271007 0.82 KDM4E (0.51) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL25616299 0.81 PAX2 (0.39) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL25616316 0.81 PAX2 (0.39) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A
SCHEMBL8386776 0.81 TSHR (0.46) ALDH1A1PAX2TSHRSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 US claimed
US-8974806-B2 Method for producing aqueous active substance compositions of active substances that are hardly soluble in water BASF AKTIENGESELLSCHAFT (DE) 2015-03-10 US disclosed
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
US-8728504-B2 Process for solubilizing hydrophobic active ingredients in aqueous medium BASF SE (DE) 2014-05-20 US disclosed
EP-2676680-A1 Use of hydrophobin polypeptides as penetration enhancers BASF SE (DE) 2013-12-25 EP disclosed
US-8497230-B2 Solid crop protection agents containing polyalkoxylate, method for their production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2013-07-30 US disclosed
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER BASF SE (DE) 2013-05-16 US disclosed
EP-1763300-B1 USE OF ETHER GROUP-CONTAINING POLYMERS AS SOLUBILIZERS BASF SE (DE) 2013-05-15 EP disclosed
EP-2531548-A1 METHOD FOR SOLUBILIZING HYDROPHOBIC ACTIVE INGREDIENTS IN AN AQUEOUS SOLUTION BASF SE (DE) 2012-12-12 EP disclosed
US-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT BASF SE (DE) 2011-12-22 US disclosed
US-20070184983-A1 Liquid pesticide compositions BASF SE (DE) 2007-08-09 US disclosed
WO-2007048851-A1 SOLID CROP PROTECTION AGENTS CONTAINING POLYALKOXYLATE, METHOD FOR THEIR PRODUCTION AND USE THEREOF BASF SE (DE) 2007-05-03 WO disclosed
EP-1776010-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2007-04-25 EP disclosed
EP-1773121-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
EP-1756188-A1 AMPHIPHILIC POLYMER COMPOSITIONS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2007-02-28 EP disclosed
WO-2006084680-A1 POLYMER COMPOSITIONS AND THEIR USE IN THE PRODUCTION OF ACTIVE OR EFFECTIVE INGREDIENT COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-08-17 WO disclosed
WO-2006015791-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2006-02-16 WO disclosed
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 WO disclosed
WO-2005121201-A1 AMPHIPHILIC POLYMER COMPOSITIONS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2005-12-22 WO disclosed
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 US 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-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT PFN1, DSTN, CHN2 ALDH1A1 3404/4885PAX2 3448/4885TSHR 4646/4885
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER NOS1, NOS3, NPSR1 ALDH1A1 2770/4885PAX2 2878/4885TSHR 3493/4885
US-20070184983-A1 Liquid pesticide compositions CBR3, BBC3, DDT ALDH1A1 2725/4885PAX2 3491/4885TSHR 992/4885

“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.