SCHEMBL3058573

SCHEMBL3058573

Nc1ccc2c(c1Br)C(=O)CC2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PBRM1 Q86U86 1/20 0.33
TYMS P04818 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
CA9 Q16790 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29799199 0.89 MAOA (0.37) THRBMAPTLMNAMEN1ALDH1A1
SCHEMBL3982720 0.89 MAOA (0.37) THRBMAPTLMNAMEN1ALDH1A1
SCHEMBL2298637 0.76 CASP1 (0.37) CASP1CASP7HSD17B10THRBMAPT
SCHEMBL14346731 0.76 HSD17B10 (0.37) CASP1CASP7HSD17B10THRBMAPT
SCHEMBL17605997 0.76 PBRM1 (0.33) KDM4EPBRM1L3MBTL1TDP1
SCHEMBL2298063 0.76 PBRM1 (0.41) CASP1CASP7HSD17B10THRBMAPT
SCHEMBL18854464 0.76 TYMS (0.42) MAPTKDM4EALDH1A1GAAHPGD
Bromide SCHEMBL2296695 0.74 PBRM1 (0.40) CASP1CASP7HSD17B10THRBMAPT
SCHEMBL3982261 0.73 CES1 (0.31)
SCHEMBL24575396 0.72 KDM4E (0.56) HSD17B10MAPTLMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807997-B2 Methods for making quinolinyldiamines EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-10-20 US disclosed
US-10807997-B2 Methods for making quinolinyldiamines EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-10-20 US disclosed
WO-2020046794-A1 METHODS FOR MAKING QUINOLINYLDIAMINES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-03-05 WO disclosed
US-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES EXXONMOBIL CHEMICAL PATENTS INC. 2020-03-05 US disclosed
US-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES EXXONMOBIL CHEMICAL PATENTS INC. 2020-03-05 US disclosed
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2167484-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES Syngeta Participations AG (CH) 2010-03-31 EP disclosed
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
WO-2009010260-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-22 WO disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 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 (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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CASP1 1675/4885CASP7 1198/4885HSD17B10 3758/4885
US-20100273830-A1 NOVEL INSECTICIDES NR5A2, NR2C2, NOX5 CASP1 1424/4885CASP7 872/4885HSD17B10 1555/4885
US-20200071344-A1 METHODS FOR MAKING QUINOLINYLDIAMINES NNMT, PNMT, HNMT CASP1 4117/4885CASP7 1804/4885HSD17B10 1501/4885
US-10807997-B2 Methods for making quinolinyldiamines NNMT, PNMT, HNMT CASP1 4117/4885CASP7 1804/4885HSD17B10 1501/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CASP1 1675/4885CASP7 1198/4885HSD17B10 3758/4885

“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.