SCHEMBL3036063

SCHEMBL3036063

CCc1nsc(NC(=O)C(C)c2ccc(O)c(N)c2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR2 O15552 2/20 0.34
NTRK1 P04629 6/20 0.33
MAPT P10636 2/20 0.32
CRHBP P24387 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GFER P55789 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3042064 0.86 ALDH1A1 (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL6614428 0.84 KMT2A (0.37) ALDH1A1GAAHPGDHTTMAPT
SCHEMBL3027577 0.78 ALDH1A1 (0.45) ALDH1A1GAAGFER
SCHEMBL5734446 0.77 HDAC6 (0.37) ALDH1A1GAAHPGDALOX15FFAR2
SCHEMBL3038281 0.73 ITGB1 (0.42) MAPT
SCHEMBL5736347 0.69 MAPT (0.44) ALDH1A1GAAPKMHTTFFAR2
SCHEMBL5734992 0.68 GAA (0.34) ALDH1A1GAAHPGDHTTMAPT
Water SCHEMBL7984015 0.67 KMT2A (0.39) ALDH1A1GAAHTTMAPT
Bromide SCHEMBL8001925 0.67 MAPT (0.42) ALDH1A1GAAPKMHTTFFAR2
SCHEMBL8001928 0.65 MAPT (0.41) GAAHTTFFAR2MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034097-A1 Pesticidal activity of functionalized alkenes LINDERMAN RUSSELL J (US) 2004-02-19 US claimed
US-6660770-B2 Inhibit digestion by terminating or blocking synthesis of digestive enzymes by activating trypsin modulating oostatic factor receptor NORTH CAROLINA STATE UNIVERSITY 2003-12-09 US claimed
EP-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP claimed
US-6521664-B1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2003-02-18 US claimed
US-20020193436-A1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2002-12-19 US claimed
WO-2002098220-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-12-12 WO claimed
EP-1241941-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-09-25 EP claimed
WO-2001041543-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2001-06-14 WO claimed
US-20100217007-A1 CHEMICAL PROCESS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
EP-1928869-B1 CHEMICAL PROCESS SYNGENTA PARTICIPATIONS AG (CH) 2010-03-17 EP disclosed
EP-1928869-A1 CHEMICAL PROCESS Syngeta Participations AG (CH) 2008-06-11 EP disclosed
WO-2007020460-A1 CHEMICAL PROCESS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
US-20040209776-A1 Azole derivatives useful as insecticide FAROOQ SALEEM 2004-10-21 US disclosed
CN-1533389-A Azole derivatives useful as insecticide 2004-09-29 CN disclosed
EP-1241941-B1 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES UNIV NORTH CAROLINA STATE (US) 2003-06-18 EP disclosed
US-6521664-B1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2003-02-18 US disclosed
WO-2003011861-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE SYNGENTA LIMITED (GB) 2003-02-13 WO disclosed
US-20020193436-A1 Pesticidal activity of functionalized alkenes NORTH CAROLINA STATE UNIVERSITY 2002-12-19 US disclosed
EP-1241941-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2002-09-25 EP disclosed
WO-2001041543-A2 PESTICIDAL ACTIVITY OF FUNCTIONALIZED ALKENES NORTH CAROLINA STATE UNIVERSITY (US) 2001-06-14 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 (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-20020193436-A1 Pesticidal activity of functionalized alkenes VIP, ANPEP, APEH ALDH1A1 1396/4885GAA 391/4885USP2 2238/4885
US-20040034097-A1 Pesticidal activity of functionalized alkenes VIP, ANPEP, APEH ALDH1A1 1396/4885GAA 391/4885USP2 2238/4885
US-20040209776-A1 Azole derivatives useful as insecticide CYP8B1, HRH2, API5 ALDH1A1 1410/4885GAA 3356/4885USP2 2445/4885
US-20100217007-A1 CHEMICAL PROCESS CBR3, RCC2, CBR1 ALDH1A1 520/4885GAA 3690/4885USP2 3262/4885

“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.