SCHEMBL3219456

SCHEMBL3219456

Cc1cc(I)ccc1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRA P18433 1/20 0.47
PTPRB P23467 1/20 0.47
PTPRE P23469 1/20 0.47
PTPN6 P29350 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL4192284 0.86 ALDH1A1 (0.55) IDO1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL20680373 0.84 MEN1 (0.57) IDO1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30798823 0.84 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL18493557 0.83 PTPRC (0.50) IDO1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1310816 0.80 ABCC9 (0.44) IDO1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6721249 0.80 IDO1 (0.40) IDO1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4607506 0.79 PTPRC (0.56) IDO1MAPTPTPRCPTPN2PTPN1
SCHEMBL8048607 0.79 SLC1A3 (0.53) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2091371 0.79 MEN1 (0.71) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30799210 0.79 NPC1 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO disclosed
US-8796247-B2 Indole derivative, and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-01-16 US disclosed
EP-2669271-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 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 (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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 IDO1 1794/4885MAPT 4865/4885CYP1A2 275/4885
US-20140018335-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R IDO1 21/4885MAPT 3483/4885CYP1A2 2070/4885
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 IDO1 6/4885MAPT 3309/4885CYP1A2 1657/4885

“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.