SCHEMBL1430366

SCHEMBL1430366

O=c1cc[nH]c2ccc(I)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CCR8 P51685 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.42
PARP1 P09874 2/20 0.41
SLC6A4 P31645 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
IGF1R P08069 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
F7 P08709 1/20 0.35

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
SCHEMBL12338439 0.78 ALDH1A1 (0.65) ALDH1A1CCR8HSD17B10KMT2APARP1
SCHEMBL1885355 0.78 ALDH1A1 (0.71) ALDH1A1CCR8HSD17B10KMT2APARP1
SCHEMBL12338438 0.76 ALDH1A1 (0.63) ALDH1A1CCR8HSD17B10KMT2APARP1
SCHEMBL14242737 0.76 NPSR1 (0.53) ALDH1A1CCR8HSD17B10KMT2APARP1
SCHEMBL3989503 0.76 AHR (0.53) ALDH1A1CCR8HSD17B10KMT2APDGFRB
SCHEMBL6935037 0.76 ALDH1A1 (0.56) ALDH1A1CCR8HSD17B10KMT2ANR4A2
SCHEMBL668615 0.76 AHR (0.53) ALDH1A1CCR8HSD17B10AHR
SCHEMBL1880534 0.76 PDE10A (0.49) ALDH1A1CCR8HSD17B10KMT2APARP1
SCHEMBL20675600 0.73 ALDH1A1 (0.53) ALDH1A1CCR8HSD17B10KMT2APARP1
SCHEMBL12846455 0.73 CYP2A6 (0.59) ALDH1A1CCR8HSD17B10KMT2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300463-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
CN-1161336-C Quinoline carboxamides as antiviral agents �������Ŷ���Լ��������˾ 2004-08-11 CN disclosed
CN-1333753-A Quinoline carboxamides as antiviral agents UPJOHN CO (US) 2002-01-30 CN disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 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 (2 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA ALDH1A1 3221/4885CCR8 3262/4885HSD17B10 3213/4885
US-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA ALDH1A1 3221/4885CCR8 3262/4885HSD17B10 3213/4885

“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.